SCHEMBL905933

SCHEMBL905933

CSc1ccc2cnn(CC(C)N)c2c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.68
HTR2C P28335 17/20 0.68
HTR2B P41595 8/20 0.68
HTR1A P08908 2/20 0.68
ADRA2A P08913 2/20 0.68
ADRA2B P18089 2/20 0.68
ADRA2C P18825 2/20 0.68
HTR1D P28221 1/20 0.68
HTR7 P34969 1/20 0.68
HTR4 Q13639 1/20 0.68
KMO O15229 2/20 0.45

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
SCHEMBL10199642 1.00 HTR2A (0.68) HTR2AHTR2CHTR2BHTR1AADRA2A
Fumaric Acid SCHEMBL8006854 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AADRA2A
Fumaric Acid SCHEMBL8009273 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AADRA2A
Fumaric Acid SCHEMBL8009278 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL906040 0.85 HTR2A (0.60) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL15713263 0.83 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL10252671 0.82 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8007544 0.81 HTR2C (0.69) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4779282 0.81 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6088764 0.81 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000017170-A2 N1-SUBSTITUTED BENZOPYRAZOLES AS INHIBITORS OF 5-HT2 RECEPTORS VERNALIS RESEARCH LIMITED (GB) 2000-03-30 WO 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
CN-1780612-B Treatment of incontinence with 5HT2C agonists. PFIZER 2010-12-01 CN disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
CN-1780612-A Treatment of incontinence with 5HT2C agonists. PFIZER (US) 2006-05-31 CN 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

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 HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885

“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.