SCHEMBL4128722

SCHEMBL4128722

CCCCCC1CCc2ccccc2N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.53
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PRKCD Q05655 4/20 0.38
DRD2 P14416 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL8553887 0.98 MTNR1A (0.52) MTNR1AALDH1A1MEN1KMT2ABRD4
SCHEMBL22977707 0.98 MTNR1A (0.52) MTNR1AALDH1A1MEN1KMT2ABRD4
SCHEMBL29593079 0.98 MTNR1A (0.52) MTNR1AALDH1A1MEN1KMT2ABRD4
SCHEMBL4045997 0.95 MTNR1A (0.55) MTNR1AALDH1A1MEN1KMT2ABRD4
SCHEMBL4138599 0.89 MTNR1A (0.57) MTNR1ABRD4CREBBPDRD2AR
SCHEMBL7951734 0.85 MTNR1A (0.55) MTNR1ABRD4CREBBP
SCHEMBL19987645 0.84 ALDH1A1 (0.48) MTNR1AALDH1A1MEN1KMT2ABRD4
SCHEMBL6243720 0.84 MTNR1A (0.45) MTNR1AALDH1A1DRD2CHRM2CHRM4
SCHEMBL13994797 0.84 MTNR1A (0.50) MTNR1AMEN1KMT2ADRD2CHRM2
SCHEMBL18668694 0.83 MTNR1A (0.46) MTNR1ACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017266-A Chiral 2-aryl-1,2,3,4-tetrahydroquinoline compound and synthesis method thereof UNIV ANHUI AGRICULTURAL 2015-11-04 CN claimed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP claimed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US claimed
EP-0256503-B1 PYRIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDE MITSUBISHI KASEI CORPORATION (JP) 1992-12-02 EP claimed
EP-0256503-A2 Pyridinecarboxamide derivatives and their use as fungicide MITSUBISHI KASEI CORPORATION (JP) 1988-02-24 EP claimed
CN-112409253-B Method for synthesizing chiral alpha-tertiary amine by catalytic kinetic resolution 上海科技大学 2022-11-29 CN disclosed
CN-109071439-B Process for preparing 4-aminoindane derivatives and related aminoindane amides I-F产品协作基金会 2022-07-15 CN disclosed
CN-112409253-A Method for synthesizing chiral alpha-tertiary amine by catalytic kinetic resolution 上海科技大学 2021-02-26 CN disclosed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
CN-105017266-A Chiral 2-aryl-1,2,3,4-tetrahydroquinoline compound and synthesis method thereof UNIV ANHUI AGRICULTURAL 2015-11-04 CN disclosed
US-20070275992-A1 Methods for synthesizing heterocycles and therapeutic use of the heterocycles for cancers LI CHAO-JUN 2007-11-29 US disclosed
US-7250423-B2 Methods for synthesizing heterocycles and therapeutic use of the heterocycles for cancers LI, CHAO-JUN 2007-07-31 US disclosed
US-20030149069-A1 Methods for synthesizing heterocycles and therapeutic use of the heterocycles for cancers LI, CHAO-JUN 2003-08-07 US disclosed
EP-0937045-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY Allergan Sales, Inc. (US) 1999-08-25 EP disclosed
WO-1998019999-A1 N-ARYL SUBSTITUTED TETRAHYDROQUINOLINES LIGANDS FOR RETINOID RECEPTORS HAVING AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE ACTIVITY ALLERGAN SALES, INC. (US) 1998-05-14 WO disclosed
EP-0256503-B1 PYRIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDE MITSUBISHI KASEI CORPORATION (JP) 1992-12-02 EP disclosed
US-4840959-A Pyridinecarboxamide derivatives and their use as fungicide MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-06-20 US disclosed
EP-0256503-A2 Pyridinecarboxamide derivatives and their use as fungicide MITSUBISHI KASEI CORPORATION (JP) 1988-02-24 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 (3 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-20070275992-A1 Methods for synthesizing heterocycles and therapeutic use of the heterocycles for cancers HCCS, DPYD, TYMS MTNR1A 4176/4885ALDH1A1 1166/4885MEN1 578/4885
US-20030149069-A1 Methods for synthesizing heterocycles and therapeutic use of the heterocycles for cancers HCCS, DPYD, TYMS MTNR1A 4176/4885ALDH1A1 1166/4885MEN1 578/4885
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents HCCS, GLS2, NQO1 MTNR1A 1442/4885ALDH1A1 959/4885MEN1 1575/4885

“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.