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SCHEMBL296740

SCHEMBL296740

CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2cccc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.77
▸ TACR2 P21452 3/20 0.77
▸ TACR1 P25103 3/20 0.77
▸ CCR5 P51681 5/20 0.45
▸ RIPK1 Q13546 1/20 0.44
▸ CCR4 P51679 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ UBE2M P61081 3/20 0.38
▸ DCUN1D1 Q96GG9 3/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL3276354 0.93 TACR3 (0.91) TACR3TACR2TACR1CCR5RIPK1
SCHEMBL296834 0.92 TACR3 (0.83) TACR3TACR2TACR1CCR5KCNH2
SCHEMBL296843 0.91 TACR3 (0.81) TACR3TACR2TACR1CCR5UBE2M
SCHEMBL296839 0.88 TACR3 (0.82) TACR3TACR2TACR1CCR5UBE2M
SCHEMBL296523 0.88 TACR3 (0.77) TACR3TACR2TACR1CCR5UBE2M
SCHEMBL295707 0.88 TACR3 (0.89) TACR3TACR2TACR1CCR5KCNH2
SCHEMBL296171 0.87 TACR3 (1.00) TACR3TACR2TACR1CCR5UBE2M
SCHEMBL931920 0.87 TACR3 (1.00) TACR3TACR2TACR1CCR5UBE2M
SCHEMBL299474 0.87 TACR3 (1.00) TACR3TACR2TACR1CCR5UBE2M
SCHEMBL3276349 0.87 TACR3 (0.80) TACR3TACR2TACR1CCR5RIPK1

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 10 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 claimed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 — — US claimed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 — — US claimed
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-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 — — US 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
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 — — 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.