SCHEMBL3696784

SCHEMBL3696784

CN(C)CCN(Cc1cccc(-c2ccc3[nH]c(=O)oc3c2)c1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LIMK2 P53671 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ PRKACG P22612 1/20 0.39
▸ PRKACB P22694 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ MAPK10 P53779 1/20 0.37

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
Hydrochloric Acid SCHEMBL3694444 0.99 AOC3 (0.43) AOC3ALDH1A1KDM4EALPLMEN1
SCHEMBL3710446 0.92 KMT2A (0.46) AOC3ALDH1A1KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL3696054 0.91 KMT2A (0.46) AOC3ALDH1A1MEN1MAPTKMT2A
SCHEMBL3700814 0.82 PGR (0.50) AOC3LIMK2PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL3696807 0.81 PGR (0.49) AOC3LIMK2PRKACAPRKACGPRKACB
SCHEMBL3699058 0.80 KDM4E (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3700833 0.78 MEN1 (0.50) ALDH1A1MEN1MAPTKMT2APDE3B
Hydrochloric Acid SCHEMBL3694951 0.77 MEN1 (0.49) AOC3ALDH1A1MEN1MAPTKMT2A
SCHEMBL3705189 0.73 ROCK2 (0.46) AOC3MEN1KMT2ALIMK2PRKACA
Hydrochloric Acid SCHEMBL3699928 0.72 ROCK2 (0.46) AOC3MEN1KMT2ALIMK2PRKACA

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 5 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-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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 (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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C AOC3 551/4885ALDH1A1 785/4885KDM4E 595/4885

“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.

Send feedback