SCHEMBL4138599

SCHEMBL4138599

CCCC1CCc2ccccc2N1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.57
AR P10275 1/20 0.43
CREBBP Q92793 2/20 0.41
BRD4 O60885 1/20 0.41
HTR1A P08908 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
DRD2 P14416 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
SCHEMBL4045997 0.90 MTNR1A (0.55) MTNR1AARCREBBPBRD4HTR1A
SCHEMBL7951734 0.89 MTNR1A (0.55) MTNR1ACREBBPBRD4SMYD3
SCHEMBL4128722 0.89 MTNR1A (0.53) MTNR1AARCREBBPBRD4HTR1A
SCHEMBL29593079 0.87 MTNR1A (0.52) MTNR1AARCREBBPBRD4DRD2
SCHEMBL22977707 0.87 MTNR1A (0.52) MTNR1AARCREBBPBRD4DRD2
SCHEMBL8553887 0.87 MTNR1A (0.52) MTNR1AARCREBBPBRD4DRD2
SCHEMBL20870486 0.86 MTNR1A (0.60) MTNR1AARCREBBPBRD4HTR1A
SCHEMBL22262591 0.86 MTNR1A (0.60) MTNR1AARCREBBPBRD4HTR1A
SCHEMBL4139663 0.86 MTNR1A (0.60) MTNR1AARCREBBPBRD4HTR1A
SCHEMBL29659962 0.86 MTNR1A (0.60) MTNR1AARCREBBPBRD4HTR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US 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
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
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
EP-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 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 (1 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-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents HCCS, GLS2, NQO1 MTNR1A 1442/4885AR 4166/4885CREBBP 2023/4885

“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.