SCHEMBL923115

SCHEMBL923115

CC(CCN1CCC(N2CCCC2=O)CC1)(C(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.46
TACR1 P25103 1/20 0.46
TACR3 P29371 1/20 0.46
LTA4H P09960 6/20 0.40
KCNH2 Q12809 6/20 0.40
VNN1 O95497 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 1/20 0.38
KCNA3 P22001 1/20 0.38
CTSS P25774 1/20 0.38
CHRM3 P20309 4/20 0.38
CHRM2 P08172 3/20 0.37
CYP2D6 P10635 3/20 0.37
CHRM1 P11229 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
HRH1 P35367 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL370592 0.80 TACR2 (0.49) TACR2TACR1TACR3LTA4HKCNH2
SCHEMBL296856 0.78 TACR2 (0.64) TACR2TACR1TACR3KCNH2CTSS
SCHEMBL296764 0.77 TACR2 (0.57) TACR2TACR1TACR3KCNH2CTSS
SCHEMBL297516 0.73 TACR1 (0.55) TACR2TACR1TACR3CTSS
SCHEMBL295192 0.73 TACR1 (0.55) TACR2TACR1TACR3CTSS
SCHEMBL296901 0.73 TACR1 (0.55) TACR2TACR1TACR3CTSS
SCHEMBL297161 0.73 TACR2 (0.61) TACR2TACR1TACR3KCNH2CTSS
SCHEMBL297588 0.73 TACR1 (0.54) TACR2TACR1TACR3CTSS
SCHEMBL295487 0.72 TACR2 (0.70) TACR2TACR1TACR3CTSS
SCHEMBL296524 0.71 KDM5A (0.42) TACR2TACR1LTA4HKCNH2

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-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 TACR2 21/4885TACR1 26/4885TACR3 95/4885

“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.