SCHEMBL5503797

SCHEMBL5503797

CC(C)COc1ccc(CN(C(=O)NCc2ccc(F)cc2)C2CCN(C)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 1.00
HTR2C P28335 4/20 1.00
ABCB11 O95342 1/20 1.00
CYP1A2 P05177 1/20 1.00
ADRB2 P07550 1/20 1.00
CHRM2 P08172 1/20 1.00
CHRM1 P11229 1/20 1.00
DRD1 P21728 1/20 1.00
TBXA2R P21731 1/20 1.00
SLC6A2 P23975 1/20 1.00
GPR183 P32249 1/20 1.00
CYP2C19 P33261 1/20 1.00
ADRA1A P35348 1/20 1.00
OPRM1 P35372 1/20 1.00
APLNR P35414 1/20 1.00
DRD3 P35462 1/20 1.00
CX3CR1 P49238 1/20 1.00
SLC6A3 Q01959 1/20 1.00
KCNH2 Q12809 1/20 1.00
GPR65 Q8IYL9 1/20 1.00

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
Pimavanserin SCHEMBL675165 1.00 HTR2A (1.00) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20794857 0.96 HTR2A (0.93) HTR2AHTR2CABCB11CYP1A2ADRB2
Pimavanserin SCHEMBL971246 0.96 HTR2A (0.93) HTR2AHTR2CABCB11CYP1A2ADRB2
SCHEMBL20766842 0.96 HTR2A (0.93) HTR2AHTR2CABCB11CYP1A2ADRB2
Pimavanserin SCHEMBL971607 0.96 HTR2A (0.93) HTR2AHTR2CABCB11CYP1A2ADRB2
Succinic Acid SCHEMBL28763260 0.96 HTR2A (0.91) HTR2AHTR2CABCB11CYP1A2ADRB2
Pimavanserin SCHEMBL970683 0.96 HTR2A (0.91) HTR2AHTR2CABCB11CYP1A2ADRB2
Pimavanserin SCHEMBL1395694 0.95 HTR2A (0.90) HTR2AHTR2CABCB11CYP1A2ADRB2
Pimavanserin SCHEMBL969828 0.95 HTR2A (0.90) HTR2AHTR2CABCB11CYP1A2ADRB2
Pimavanserin SCHEMBL969826 0.95 HTR2A (0.90) HTR2AHTR2CABCB11CYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020020064-A1 METHOD FOR SAFELY PREPARING PIMAVANSERIN AND TARTRATE SALT THEREOF USING TRIPHOSGENE 丽珠集团新北江制药股份有限公司 2020-01-30 WO claimed
CN-102153505-B n-(4-fluorobenzyl)-n-(1-methylpiperidin-4-yl)-n'-(4-(2-methylpropyloxy)phenylmethyl)carbamide and their preparation and crystalline form of its tartrate ACADIA PHARMACEUTICAL, INC. (US) 2014-10-22 CN claimed
CN-101035759-A Synthesis and crystalline forms of N- (4-fluorobenzyl) -N- (1-methylpiperidin-4-yl) -N' - (4- (2-methylpropyloxy) phenylmethyl) urea and its tartrate salt ACADIA PHARM INC (US) 2007-09-12 CN claimed
CN-101031548-A Salts of n-(4-fluorobenzyl)-n-(1-methylpiperidin-4-yl)-n'-(4-(2-methylpropyloxy) phenylmethyl) carbamide and their preparation ACADIA PHARM INC (US) 2007-09-05 CN claimed
US-11840515-B2 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) 2023-12-12 US disclosed
US-20220024871-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. 2022-01-27 US disclosed
WO-2020020064-A1 METHOD FOR SAFELY PREPARING PIMAVANSERIN AND TARTRATE SALT THEREOF USING TRIPHOSGENE 丽珠集团新北江制药股份有限公司 2020-01-30 WO disclosed
CN-102153505-B n-(4-fluorobenzyl)-n-(1-methylpiperidin-4-yl)-n'-(4-(2-methylpropyloxy)phenylmethyl)carbamide and their preparation and crystalline form of its tartrate ACADIA PHARMACEUTICAL, INC. (US) 2014-10-22 CN disclosed
WO-2014085362-A1 METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE PSYCHOSIS USING PIMAVANSERIN ACADIA PHARMACEUTICALS INC. (US) 2014-06-05 WO disclosed
CN-102153505-A Salts of n-(4-fluorobenzyl)-n-(1-methylpiperidin-4-yl)-n'-(4-(2-methylpropyloxy)phenylmethyl)carbamide and their preparation ACADIA PHARM INC 2011-08-17 CN disclosed
CN-101035759-B Synthesis and crystalline forms of N- (4-fluorobenzyl) -N- (1-methylpiperidin-4-yl) -N' - (4- (2-methylpropyloxy) phenylmethyl) urea and its tartrate salt ACADIA PHARM INC 2011-06-15 CN disclosed
CN-101031548-B Salts of n-(4-fluorobenzyl)-n-(1-methylpiperidin-4-yl)-n'-(4-(2-methylpropyloxy) phenylmethyl) carbamide and their preparation ACADIA PHARM INC 2011-04-06 CN disclosed
CN-101035759-A Synthesis and crystalline forms of N- (4-fluorobenzyl) -N- (1-methylpiperidin-4-yl) -N' - (4- (2-methylpropyloxy) phenylmethyl) urea and its tartrate salt ACADIA PHARM INC (US) 2007-09-12 CN disclosed
CN-101031548-A Salts of n-(4-fluorobenzyl)-n-(1-methylpiperidin-4-yl)-n'-(4-(2-methylpropyloxy) phenylmethyl) carbamide and their preparation ACADIA PHARM INC (US) 2007-09-05 CN disclosed
EP-1794126-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS Acadia Pharmaceuticals Inc. (US) 2007-06-13 EP disclosed
WO-2006037043-A1 SYNTHESIS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND CRYSTALLINE FORMS 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 (2 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-11840515-B2 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 NR3C2, NR2C2, CYP4A22 HTR2A 911/4885HTR2C 838/4885ABCB11 2727/4885
US-20220024871-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 NR3C2, NR2C2, CYP4A22 HTR2A 919/4885HTR2C 846/4885ABCB11 2724/4885

“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.