SCHEMBL3692968

SCHEMBL3692968

Fc1ccc(C(c2cc(-c3ccc4[nH]ncc4c3)co2)N2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ PRKD2 Q9BZL6 1/20 0.41
▸ SLK Q9H2G2 1/20 0.41
▸ ROCK2 O75116 6/20 0.40
▸ ROCK1 Q13464 5/20 0.40
▸ PKN2 Q16513 3/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ PKN1 Q16512 1/20 0.40
▸ CDC7 O00311 3/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ PRKCH P24723 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ HTR1A P08908 1/20 0.38

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
SCHEMBL3691597 0.89 EGFR (0.42) P4HBEGFRMAP4K4ERBB2MAPK9
SCHEMBL3692993 0.84 P4HB (0.45) P4HBEGFRMAP4K4ERBB2MAPK9
SCHEMBL3695384 0.84 CYP19A1 (0.42) P4HBHTR1AHTR7GRIA1
SCHEMBL3692791 0.83 ROCK2 (0.45) P4HBEGFRMAP4K4ERBB2MAPK9
SCHEMBL4492416 0.77 KCNH2 (0.43) GRIN2BGRIA1
Acetic Acid SCHEMBL3694995 0.73 KCNH2 (0.43) GRIN2BGRIA1
SCHEMBL3695743 0.73 TGFBR1 (0.42) P4HBEGFRMAP4K4ERBB2MAPK9
SCHEMBL3699243 0.73 CYP19A1 (0.41) P4HBEGFRCSNK1DROCK2ROCK1
SCHEMBL27713722 0.73 CYP19A1 (0.41) P4HBEGFRCSNK1DROCK2ROCK1
SCHEMBL3697956 0.72 TGFBR1 (0.42) P4HBEGFRMAP4K4ERBB2MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP claimed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US claimed
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-7618650-B2 Combination of a hypnotic agent and substituted bis aryl and heteroaryl compound and therapeutic application thereof AVENTIS PHARMACEUTICALS INC (US) 2009-11-17 — — US disclosed
US-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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 (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-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF HCRTR1, HCRTR2, MTNR1B P4HB 3316/4885EGFR 4151/4885MAP4K4 4583/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C P4HB 4494/4885EGFR 3896/4885MAP4K4 4055/4885

“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.

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