SCHEMBL4916458

SCHEMBL4916458

CCC(=O)N(Cc1ccc(C(=O)NCc2ccc(OC)cc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
OPRM1 P35372 5/20 0.56
TMEM97 Q5BJF2 1/20 0.53
CCR3 P51677 1/20 0.51
CACNA1G O43497 1/20 0.51
HTR2A P28223 4/20 0.50
HRH3 Q9Y5N1 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
TBXA2R P21731 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GPR183 P32249 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
APLNR P35414 1/20 0.48

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
SCHEMBL4926169 0.93 TSHR (0.55) TSHROPRM1TMEM97CCR3CACNA1G
SCHEMBL4916465 0.91 TSHR (0.56) TSHROPRM1CCR3CACNA1GHTR2A
SCHEMBL4914030 0.91 HTR2A (0.54) TSHROPRM1CCR3CACNA1GHTR2A
SCHEMBL4913986 0.91 TSHR (0.54) TSHROPRM1CCR3CACNA1GHTR2A
SCHEMBL4923572 0.90 TSHR (0.53) TSHROPRM1CCR3CACNA1GHTR2A
SCHEMBL4921760 0.90 TSHR (0.55) TSHROPRM1CCR3CACNA1GHTR2A
SCHEMBL4924123 0.89 ALDH1A1 (0.56) OPRM1TMEM97CACNA1GSMN1; SMN2ACKR3
SCHEMBL4922782 0.89 TSHR (0.55) TSHROPRM1CCR3CACNA1GHTR2A
SCHEMBL4924366 0.89 TSHR (0.51) TSHROPRM1CCR3CACNA1GHTR2A
SCHEMBL4920750 0.88 TSHR (0.53) TSHROPRM1CCR3CACNA1GHTR2A

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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2008-04-03 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-20080081824-A1 Substituted piperidines as modulators of chemokine receptor activity CCR1, CCR3, CCR2 TSHR 727/4885OPRM1 154/4885TMEM97 1122/4885

“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.