SCHEMBL3961952

SCHEMBL3961952

COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.77
CYP1A2 P05177 2/20 0.77
HTR2C P28335 2/20 0.77
CYP2C19 P33261 2/20 0.77
KCNH2 Q12809 2/20 0.77
ABCB11 O95342 1/20 0.77
ADRB2 P07550 1/20 0.77
CHRM2 P08172 1/20 0.77
CHRM1 P11229 1/20 0.77
DRD1 P21728 1/20 0.77
TBXA2R P21731 1/20 0.77
SLC6A2 P23975 1/20 0.77
GPR183 P32249 1/20 0.77
ADRA1A P35348 1/20 0.77
OPRM1 P35372 1/20 0.77
APLNR P35414 1/20 0.77
DRD3 P35462 1/20 0.77
CX3CR1 P49238 1/20 0.77
SLC6A3 Q01959 1/20 0.77
GPR65 Q8IYL9 1/20 0.77

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
SCHEMBL342509 0.91 HTR2A (0.72) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL25465874 0.89 HTR2A (0.62) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL13191099 0.88 HTR2A (0.65) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20766423 0.88 HTR2A (0.73) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL3768820 0.88 HTR2A (0.72) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL3959120 0.88 HTR2A (0.72) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL22563294 0.88 HTR2A (0.78) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20765893 0.88 HTR2A (0.61) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL25571393 0.88 HTR2A (0.80) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL25571423 0.88 HTR2A (0.80) HTR2ACYP1A2HTR2CCYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
EP-2200610-B1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS ACADIA PHARM INC (US) 2018-01-10 EP disclosed
WO-2017015272-A1 METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C ACADIA PHARMACEUTICALS INC. (US) 2017-01-26 WO disclosed
US-20140349976-A1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS ACADIA PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349976-A1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS ACADIA PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20090082388-A1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS ACADIA PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20090082388-A1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS ACADIA PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20090082388-A1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS ACADIA PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
WO-2009039461-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
WO-2009039460-A2 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
WO-2009039461-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090082342-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090082342-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090082342-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2006036874-A1 SALTS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND THEIR PREPARATION ACADIA PHARMACEUTICALS INC. (US) 2006-04-06 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-20140349976-A1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS CHAT, ACHE, SLC18A3 HTR2A 185/4885CYP1A2 1127/4885HTR2C 561/4885
US-20090082342-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS HTR3A, HTR5A, HTR1A HTR2A 11/4885CYP1A2 394/4885HTR2C 12/4885
US-20090082388-A1 CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS CHAT, ACHE, SLC18A3 HTR2A 185/4885CYP1A2 1127/4885HTR2C 561/4885

“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.