SCHEMBL296395

SCHEMBL296395

COC(=O)C(C)(CCN1CCC(NS(=O)(=O)CC2CC2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.45
TACR2 P21452 3/20 0.45
TACR1 P25103 3/20 0.45
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
UTS2R Q9UKP6 2/20 0.36
MCHR1 Q99705 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
CCR5 P51681 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCR3 P51677 1/20 0.35
HTR4 Q13639 1/20 0.35

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
SCHEMBL297326 0.91 TACR3 (0.46) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL297581 0.89 TACR3 (0.45) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL297232 0.85 TACR3 (0.58) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL296888 0.84 TACR3 (0.45) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL371382 0.80 TACR3 (0.45) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL295657 0.80 TACR3 (0.65) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL296889 0.80 TACR3 (0.52) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL296394 0.80 TACR3 (0.50) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL295899 0.79 TACR3 (0.47) TACR3TACR2TACR1KCNH2CACNA1I
SCHEMBL3635512 0.79 LMNA (0.42) TACR3TACR2TACR1KCNH2CACNA1I

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
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
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 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 (2 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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885TACR2 21/4885TACR1 26/4885
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.