SCHEMBL905920

SCHEMBL905920

COc1c(F)ccc2c1c1c(n2C[C@H](C)N)CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.34
HTR2A P28223 5/20 0.34
HTR6 P50406 1/20 0.34
BACE1 P56817 2/20 0.32
GNRHR P30968 2/20 0.31
ALDH1A1 P00352 5/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
BCHE P06276 1/20 0.31
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
ALOX12 P18054 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL905938 0.85 HTR2C (0.36) HTR2CHTR2ABACE1ALDH1A1MEN1
SCHEMBL7471371 0.83 HTR2A (0.46) HTR2CHTR2ABACE1ALDH1A1MEN1
SCHEMBL905955 0.83 HTR2A (0.46) HTR2CHTR2ABACE1ALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL905923 0.81 RAB9A (0.40) HTR6ALDH1A1MEN1KMT2AMAPT
Fumaric Acid SCHEMBL6626918 0.77 NPSR1 (0.38) HTR2CHTR2ABACE1ALDH1A1MEN1
Fumaric Acid SCHEMBL6626910 0.77 NPSR1 (0.38) HTR2CHTR2ABACE1ALDH1A1MEN1
SCHEMBL905786 0.76 HTR6 (0.38) HTR2CHTR6BACE1ALDH1A1MEN1
SCHEMBL7529719 0.76 HTR6 (0.38) HTR2CHTR6BACE1ALDH1A1MEN1
SCHEMBL905921 0.76
SCHEMBL6628060 0.76 HTR6 (0.38) HTR2CHTR6BACE1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP claimed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 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 (3 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR6 21/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR6 21/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR6 21/4885

“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.