SCHEMBL20404372

SCHEMBL20404372

CC(=O)NCc1ccc(OCC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.64
MAPT P10636 3/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
ALOX12 P18054 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.55
HTR2A P28223 5/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47

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
SCHEMBL8219973 0.89 MAPT (0.64) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL18398515 0.87 MAPT (0.67) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL20409449 0.86 MAPT (0.61) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL3032550 0.86 MAPT (0.61) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL18412176 0.86 MAPT (0.61) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL20404371 0.86 MAPT (0.61) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL3035344 0.81 MAPT (0.52) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL18398430 0.81 MAPT (0.56) ACACBMAPTKMT2AMEN1ALOX12
SCHEMBL12001520 0.81 ACACB (0.81) ACACBMAPTALDH1A1POLB
SCHEMBL20731562 0.80 MEN1 (0.54) ACACBMAPTKMT2AMEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3351532-A1 METHOD FOR PREPARING PIMAVANSERIN SCI Pharmatech, Inc. (TW) 2018-07-25 EP disclosed
CN-104961672-A Synthetic method of tartrate of N-(4-fluorobenzyl)-N-(1-methylpiperidine-4-yl)-N'-(4-isobutoxybenzyl)urea UNIV SHENYANG PHARMACEUTICAL 2015-10-07 CN 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 (1 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 ACACB 1940/4885MAPT 4837/4885KMT2A 797/4885

“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.