SCHEMBL296399

SCHEMBL296399

CCN(C1CCN(CCC(C)(C(=O)NCc2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.48
HRH3 Q9Y5N1 4/20 0.46
TACR2 P21452 3/20 0.46
TACR1 P25103 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 2/20 0.41
KCNH2 Q12809 2/20 0.40
CACNA1I Q9P0X4 1/20 0.40
CCR5 P51681 3/20 0.39
EPHX2 P34913 1/20 0.39
CXCR3 P49682 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
SCHEMBL8042934 0.87 TACR3 (0.52) TACR3HRH3TACR2TACR1P2RX7
SCHEMBL296271 0.86 TACR2 (0.51) TACR3TACR2TACR1MEN1KMT2A
SCHEMBL3271634 0.85 TACR3 (0.51) TACR3TACR2TACR1MEN1KMT2A
SCHEMBL296855 0.85 TACR3 (0.49) TACR3HRH3TACR2TACR1MEN1
SCHEMBL295664 0.85 TACR3 (0.63) TACR3HRH3TACR2TACR1MEN1
SCHEMBL296428 0.84 TACR3 (0.63) TACR3HRH3TACR2TACR1P2RX7
SCHEMBL296022 0.84 TACR3 (0.43) TACR3HRH3TACR2TACR1MEN1
SCHEMBL296750 0.83 TACR3 (0.51) TACR3HRH3TACR2TACR1MEN1
SCHEMBL8047331 0.83 TACR3 (0.65) TACR3TACR2TACR1MEN1KMT2A
SCHEMBL12906771 0.83 TACR3 (0.65) TACR3TACR2TACR1MEN1KMT2A

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 14 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
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP claimed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO 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
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP disclosed
US-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 US disclosed
WO-2009033995-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-19 WO 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 95/4885HRH3 141/4885TACR2 21/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR3 95/4885HRH3 141/4885TACR2 21/4885

“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.