SCHEMBL296583

SCHEMBL296583

CC(=O)NC1CCN(CCC(C)(C(=O)NC(CO)c2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.66
TACR2 P21452 5/20 0.43
TACR1 P25103 5/20 0.43
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
CCR5 P51681 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
SSTR4 P31391 1/20 0.38
PRCP P42785 3/20 0.38
MCHR1 Q99705 1/20 0.38
KMT2A Q03164 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
SCHEMBL12906935 1.00 TACR3 (0.66) TACR3TACR2TACR1UBE2MDCUN1D1
SCHEMBL297644 0.95 TACR3 (0.65) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL296724 0.95 TACR3 (0.65) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL297026 0.93 TACR3 (0.75) TACR3TACR2TACR1HTR2ADRD3
SCHEMBL296316 0.93 TACR3 (0.75) TACR3TACR2TACR1HTR2ADRD3
SCHEMBL12906931 0.93 TACR3 (0.75) TACR3TACR2TACR1HTR2ADRD3
SCHEMBL12906860 0.87 TACR3 (0.71) TACR3TACR2TACR1CCR5KCNH2
SCHEMBL297168 0.87 TACR3 (0.71) TACR3TACR2TACR1CCR5KCNH2
SCHEMBL12906859 0.87 TACR3 (0.71) TACR3TACR2TACR1CCR5KCNH2
SCHEMBL295844 0.87 TACR3 (0.71) TACR3TACR2TACR1CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 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-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885TACR2 21/4885TACR1 26/4885

“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.