SCHEMBL906093

SCHEMBL906093

CC(Oc1ncccc1OCCOc1nccnc1N1CCNCC1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
EPHX2 P34913 1/20 0.39
HTR2C P28335 2/20 0.35

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
SCHEMBL5585753 0.84 HTR1A (0.43) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL2639856 0.83 HTR1A (0.46) HTR1ASLC6A2EPHX2
SCHEMBL2640018 0.82 SLC6A2 (0.46) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL4314317 0.81 NISCH (0.44) HTR1ASLC6A2HTR2C
SCHEMBL4313464 0.81 HTR1A (0.46) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL2639820 0.79 EPHX2 (0.44) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL2639783 0.79 HTR1A (0.49) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL2640109 0.78 HTR1A (0.44) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL4314845 0.78 HTR2C (0.47) HTR1ASLC6A2HTR2C
SCHEMBL4312809 0.78 CYP2C19 (0.49) HTR1ASLC6A2HTR2C

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 HTR1A 15/4885SLC6A2 36/4885EPHX2 385/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR1A 15/4885SLC6A2 36/4885EPHX2 385/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR1A 15/4885SLC6A2 36/4885EPHX2 385/4885

“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.