SCHEMBL3694384

SCHEMBL3694384

O=C(c1ccc(F)cc1F)N(CCN1CCCC1)Cc1cc(-c2ccc3[nH]nnc3c2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.38
▸ ROCK1 Q13464 3/20 0.38
▸ ACKR3 P25106 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ USP2 O75604 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ALOX15 P16050 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ LMNA P02545 1/20 0.34

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 SCHEMBL3695123 0.99 ROCK2 (0.38) ROCK2ROCK1ACKR3KDM4EALDH1A1
SCHEMBL3697876 0.90 ROCK1 (0.40) ROCK2ROCK1KDM4EALDH1A1USP2
SCHEMBL13604787 0.84 RAB9A (0.41) ROCK2ROCK1KDM4EALDH1A1MEN1
SCHEMBL3707994 0.79 ROCK2 (0.48) ROCK2ROCK1KDM4EALDH1A1USP2
Hydrochloric Acid SCHEMBL3699207 0.79 ROCK2 (0.48) ROCK2ROCK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3693678 0.78 ROCK2 (0.38) ROCK2ROCK1KDM4EALDH1A1USP2
SCHEMBL3697219 0.77 GRIN2B (0.45) ROCK2ROCK1KDM4EALDH1A1USP2
SCHEMBL3696032 0.73 HSP90AA1 (0.44) ACKR3KDM4EALDH1A1USP2GAA
SCHEMBL3703584 0.73 DYRK1A (0.38) —
SCHEMBL3692025 0.73 KDM4E (0.41) ROCK2ROCK1KDM4EALDH1A1USP2

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 3 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-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 ROCK2 2422/4885ROCK1 3872/4885ACKR3 1125/4885

“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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