SCHEMBL905871

SCHEMBL905871

CC(N)Cc1nn(C(C)C)c2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
PNMT P11086 2/20 0.41
HTR2C P28335 4/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
MAPK8 P45983 4/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
HTR2B P41595 1/20 0.33
ALOX5AP P20292 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL905751 0.84 HTR2A (0.43) HTR2APNMTHTR2CSLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL905873 0.80 MAPK8 (0.44) HTR2AHTR2CKDM4EGABRA1GABRG2
Fumaric Acid SCHEMBL8138713 0.75 MAPK8 (0.40) HTR2AKDM4EMAPK8MAPK9MAPK10
Fumaric Acid SCHEMBL8138709 0.75 MAPK8 (0.40) HTR2AKDM4EMAPK8MAPK9MAPK10
SCHEMBL905872 0.73 KDM4E (0.36) HTR2AHTR2CKDM4EMAPK8MEN1
SCHEMBL905771 0.68 HTR2A (0.55) HTR2APNMTSLC6A2SLC6A3RET
SCHEMBL5989789 0.67 HTR1A (0.43) HTR2AHTR2CSLC6A2HTR2B
SCHEMBL16881243 0.66 MAPK8 (0.49) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL23467048 0.66 NLRP3 (0.40) HTR2AHTR2CMAPK8MEN1KMT2A
SCHEMBL8153285 0.65 KDM4E (0.37) KDM4EGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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 6/4885PNMT 97/4885HTR2C 1/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885PNMT 97/4885HTR2C 1/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885PNMT 97/4885HTR2C 1/4885

“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.