SCHEMBL1145772

SCHEMBL1145772

[CH2]OCc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
IDO1 P14902 2/20 0.64
AGXT P21549 2/20 0.64
PNMT P11086 2/20 0.54
MAOB P27338 4/20 0.53
TAAR1 Q96RJ0 2/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
ENPP2 Q13822 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
NR4A2 P43354 1/20 0.46
MAOA P21397 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46

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
SCHEMBL7040986 0.83 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL28404628 0.82 CYP3A4 (0.69) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL10866481 0.82 CYP3A4 (0.69) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL1855225 0.80 CYP3A4 (0.67) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL27543274 0.79 CYP3A4 (0.60) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL423396 0.79 CYP3A4 (0.60) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL13278842 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL7958908 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL4950985 0.78 CYP3A4 (0.64) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL403680 0.78 IDO1 (1.00) CYP3A4IDO1AGXTPNMTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
EP-2617578-B1 HEAT-SENSITIVE CHROMOGENIC COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL FORMED USING SAID COMPOSITION YAMAMOTO CHEMICALS INC (JP) 2015-02-25 EP disclosed
US-8888906-B2 Heat-sensitive color-developing composition and heat-sensitive recording material comprising the composition YAMAMOTO CHEMICALS, INC. (JP) 2014-11-18 US disclosed
EP-2617578-A1 HEAT-SENSITIVE CHROMOGENIC COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL FORMED USING SAID COMPOSITION Yamamoto Chemicals, Inc. (JP) 2013-07-24 EP disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 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 (4 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CYP3A4 4653/4885IDO1 4109/4885AGXT 2996/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CYP3A4 4493/4885IDO1 3192/4885AGXT 721/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS CYP3A4 3438/4885IDO1 4638/4885AGXT 3821/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CYP3A4 4363/4885IDO1 2152/4885AGXT 1488/4885

“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.