SCHEMBL14216818

SCHEMBL14216818

CN(CCC(c1ccccc1)c1ccccc1)C(=O)N(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HRH1 P35367 2/20 0.47
CASR P41180 1/20 0.42
SLC6A9 P48067 2/20 0.40
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
FASN P49327 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL14216987 0.85 HTR2A (0.44) HTR2AHRH1ALDH1A1UTS2RLMNA
SCHEMBL12550527 0.78 ALDH1A1 (0.48) KDM4EALDH1A1USP2FASNPTGS2
SCHEMBL14216819 0.77 MTNR1A (0.53) CASRALDH1A1MTNR1AMTNR1B
SCHEMBL25395406 0.76 ALDH1A1 (0.48) KDM4EALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL14217383 0.76 HTR2A (0.53) HTR2AHRH1CASRCCR5KDM4E
SCHEMBL9053055 0.75 HTR2A (0.60) HTR2AHRH1KDM4EALDH1A1USP2
SCHEMBL14217373 0.74 SIGMAR1 (0.48) HTR2AHRH1KDM4EALDH1A1UTS2R
SCHEMBL14216839 0.74 HTR2A (0.44) HTR2AHRH1CCR5KDM4EALDH1A1
SCHEMBL3905618 0.73 HRH1 (0.58) HTR2AHRH1KDM4EALDH1A1MTNR1A
SCHEMBL1730118 0.70 ALDH1A1 (0.48) KDM4EALDH1A1USP2FASNPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 HTR2A 2787/4885HRH1 163/4885CASR 2/4885

“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.