SCHEMBL4138679

SCHEMBL4138679

c1ccc(CCC2CCc3ccccc3N2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.48
GRIN2B Q13224 3/20 0.44
GRIN1 Q05586 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL7951734 0.86 MTNR1A (0.55) MTNR1A
SCHEMBL10684249 0.83 MTNR1A (0.50) MTNR1AGRIN2B
SCHEMBL22279962 0.82 MTNR1A (0.47) MTNR1A
SCHEMBL4138599 0.80 MTNR1A (0.57) MTNR1A
SCHEMBL4728695 0.80 MTNR1A (0.50) MTNR1A
SCHEMBL5787532 0.80 MTNR1A (0.50) MTNR1A
SCHEMBL9951772 0.79 SMPD1 (0.44) MTNR1A
SCHEMBL31018491 0.78 MEN1 (0.44)
SCHEMBL6616396 0.78 MEN1 (0.44)
SCHEMBL31018488 0.78 MEN1 (0.44)

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 10 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

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 1442/4885GRIN2B 4087/4885GRIN1 3900/4885

“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.