SCHEMBL905731

SCHEMBL905731

NCCCc1c2n(c3cc(F)c(F)cc13)CCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.34
GAA P10253 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
TBXA2R P21731 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL906074 0.80 HTR6 (0.43) HTR6HTR2CHTR2AGAAMAPK1
SCHEMBL906043 0.80 HTR6 (0.43) HTR6HTR2CHTR2AGAAMAPK1
SCHEMBL6646430 0.78 HTR2C (0.60) HTR6HTR2CHTR2AGAAMAPK1
Hydrochloric Acid SCHEMBL6639962 0.77 HTR2C (0.59) HTR6HTR2CHTR2ATBXA2RPTGDR
SCHEMBL905928 0.77 HTR6 (0.66) HTR6HTR2CGAAMAPK1KDM4E
SCHEMBL7227242 0.66 HTR2C (0.34) HTR6HTR2CKDM4EALDH1A1CYP1A2
SCHEMBL5232964 0.66 HTR2C (0.66) HTR6HTR2CGAAMAPK1
SCHEMBL5235500 0.66 HTR2C (0.54) HTR6HTR2CGAAMAPK1
SCHEMBL4277129 0.65 HTR6 (0.44) HTR6HTR2CHTR2AALDH1A1
Hydrochloric Acid SCHEMBL9689536 0.64 MEN1 (0.43) HTR6HTR2CHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR6 21/4885HTR2C 1/4885HTR2A 6/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885HTR2C 1/4885HTR2A 6/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885HTR2C 1/4885HTR2A 6/4885

“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.