SCHEMBL759560

SCHEMBL759560

Cc1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX5 P09917 1/20 0.48
AKR1C3 P42330 1/20 0.47
F2 P00734 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CTRC Q99895 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9832282 0.88 ADRB1 (0.47) ADRB1MEN1KMT2AALOX5AKR1C3
SCHEMBL6802924 0.88 MEN1 (0.57) ADRB1MEN1KMT2AMAPTALDH1A1
SCHEMBL10063748 0.81 ADRB1 (0.70) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL3414344 0.81 ADRB1 (0.70) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL7105773 0.81 ADRB1 (0.70) ADRB1MEN1KMT2AAKR1C3MAPT
SCHEMBL26821274 0.79 MGLL (0.50) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL578474 0.78 AKR1C3 (0.47) MEN1KMT2AAKR1C3MAPTLMNA
SCHEMBL20907468 0.78 LMNA (0.54) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL7284125 0.78 MAPT (0.50) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL77364 0.78 MAPT (0.57) MEN1KMT2AF2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
CN-107108610-B Novel tetrahydropyridopyrimidine and tetrahydropyridopyridine compounds for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2019-06-04 CN disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
WO-2019022223-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2019-01-31 WO disclosed
EP-3240537-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-11-08 EP disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
EP-1360184-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-12 EP disclosed
WO-2002062784-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-15 WO disclosed
US-5625046-A Hydroxyl projecting groups for organic synthesis KING'S COLLEGE LONDON (GB) 1997-04-29 US disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 US disclosed
US-5436331-A Etherification with N-aryl-4-alkoxy-1,2,5,6-tetrahydropyidine KINGS COLLEGE LONDON (GB) 1995-07-25 US disclosed
EP-0298982-B1 PROTECTING GROUPS FOR ORGANIC SYNTHESIS KING'S COLLEGE LONDON (GB) 1991-08-28 EP disclosed
EP-0240398-B1 DISSYMMETRICAL 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC-ACID DERIVATIVES, PREPARATION PROCESSES AND THERAPEUTICAL USE FOURNIER INNOVATION ET SYNERGIE (FR) 1991-05-15 EP disclosed
US-4900833-A HYPOTENSIVE AGENTS SOCIETE DE RECHERCHES INDUSTRIES (S.O.R.I.) (FR) 1990-02-13 US disclosed
US-4806544-A ENANTIOMORPHS, RACEMIC MIXTURES, HYPOTENSIVE AGENTS, CARDIOV LAR DISORDERS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-02-21 US disclosed
EP-0240398-A1 Dissymmetrical 1,4-dihydropyridine-3,5-dicarboxylic-acid derivatives, preparation processes and therapeutical use FOURNIER INNOVATION ET SYNERGIE (FR) 1987-10-07 EP 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 (2 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-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT ADRB1 1119/4885MEN1 2567/4885KMT2A 2296/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD ADRB1 1412/4885MEN1 2480/4885KMT2A 2103/4885

“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.