SCHEMBL1446809

SCHEMBL1446809

Nc1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.70
MAPT P10636 2/20 0.61
POLB P06746 1/20 0.61
HSP90AA1 P07900 1/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MITF O75030 1/20 0.61
GAA P10253 1/20 0.61
GFER P55789 1/20 0.61
NLRP1 Q9C000 1/20 0.61
NOD2 Q9HC29 1/20 0.61
ATM Q13315 1/20 0.51
CYP3A4 P08684 3/20 0.50
LTA4H P09960 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NLRP3 Q96P20 1/20 0.48
MAOA P21397 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30098445 1.00 MAOB (0.70) MAOBMAPTPOLBHSP90AA1ALDH1A1
Hydrochloric Acid SCHEMBL4868187 0.98 MAOB (0.68) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL29352463 0.89 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL29363390 0.89 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL128748 0.89 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL1270913 0.89 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL204267 0.89 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL6293819 0.87 MAOB (0.83) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL6289860 0.87 MAOB (0.83) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL1270895 0.87 MAOB (0.83) MAOBMAPTPOLBHSP90AA1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188289-A2 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2010-05-26 EP claimed
WO-2009021169-A2 (7H-PYRR0L0 [2, 3-D] PYRIMIDIN-4-YL) -PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION LEXICON PHARMACEUTICALS, INC. (US) 2009-02-12 WO claimed
US-20250235463-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-07-24 US disclosed
US-12295959-B2 Phenoxy and benzyloxy substituted psychoplastogens and uses thereof DELIX THERAPEUTICS, INC. (US) 2025-05-13 US disclosed
EP-4448531-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2024-10-23 EP disclosed
US-20240335454-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2024-10-10 US disclosed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
WO-2023114313-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
EP-4157844-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER Centre national de la recherche scientifique (FR) 2023-04-05 EP disclosed
EP-4110758-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 Tes Pharma S.r.l. (IT) 2023-01-04 EP disclosed
US-6458803-B1 COMPOSITIONS AND METHODS FOR TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PREFERRED TERTIARY-HETEROALKYLAMINE COMPOUNDS ARE SUBSTITUTED N-PHENYL-N-HETEROARALKYL AMINOALCOHOLS. A PREFERRED SPECIFIC G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458852-B1 A METHOD OF TREATING OR PREVENTING A CETP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6455519-B1 TREATING ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-09-24 US disclosed
US-6451830-B1 Use of substituted N,N-disubstituted non-fused heterocyclo amino compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6451823-B1 Use of substituted N-phenoxy-N-phenyl aminoalcohol compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 US disclosed
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-08-29 US disclosed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240335454-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF GAP43, BDNF, GRIN2A MAOB 76/4885MAPT 132/4885POLB 2837/4885
US-12295959-B2 Phenoxy and benzyloxy substituted psychoplastogens and uses thereof GAP43, BDNF, GRIN2A MAOB 76/4885MAPT 132/4885POLB 2837/4885
US-20250235463-A1 PHENOXY AND BENZYLOXY SUBSTITUTED PSYCHOPLASTOGENS AND USES THEREOF GAP43, BDNF, GRIN2A MAOB 76/4885MAPT 132/4885POLB 2837/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI MAOB 1480/4885MAPT 2715/4885POLB 2463/4885
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 MAOB 2144/4885MAPT 847/4885POLB 1577/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.