SCHEMBL1015494

SCHEMBL1015494

COc1ccc(Sc2ccc(C3CCNC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.50
PDE4B Q07343 1/20 0.47
MAOA P21397 1/20 0.47
HTR2C P28335 4/20 0.46
HTR6 P50406 2/20 0.46
PTGIR P43119 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR1E P28566 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43

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
SCHEMBL3552712 0.91 HTR3A (0.59) HTR3APDE4BMAOAHTR2CHTR6
SCHEMBL28488068 0.91 HTR3A (0.59) HTR3APDE4BMAOAHTR2CHTR6
Hydrochloric Acid SCHEMBL2268492 0.89 HTR3A (0.58) HTR3APDE4BMAOAHTR2CHTR6
SCHEMBL28301764 0.82 HTR2A (0.55) HTR3AMAOAHTR2CHTR6HTR2A
SCHEMBL2145393 0.82 HTR2A (0.55) HTR3AMAOAHTR2CHTR6HTR2A
Hydrochloric Acid SCHEMBL568418 0.81 HTR2A (0.54) HTR3AMAOAHTR2CHTR6HTR2A
SCHEMBL16874793 0.81 CYP2D6 (0.53) HTR3APDE4BMAOAHTR6HTR2A
SCHEMBL239790 0.80 HTR2C (0.64) HTR3AMAOAHTR2CHTR6
Hydrochloric Acid SCHEMBL16446233 0.80 CYP2D6 (0.51) HTR3APDE4BMAOAHTR6HTR2A
SCHEMBL1015482 0.79 PKM (0.54) HTR3APDE4BMAOAHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO 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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F HTR3A 12/4885PDE4B 1026/4885MAOA 65/4885

“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.