Sugi Predict

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SCHEMBL296271

SCHEMBL296271

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 7/20 0.51
▸ TACR3 P29371 4/20 0.51
▸ TACR1 P25103 3/20 0.51
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CCR5 P51681 5/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ F10 P00742 1/20 0.36

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
SCHEMBL296855 0.90 TACR3 (0.49) TACR2TACR3TACR1MEN1ALDH1A1
SCHEMBL296518 0.88 TACR2 (0.54) TACR2TACR3TACR1MEN1ALDH1A1
SCHEMBL297327 0.88 TACR2 (0.52) TACR2TACR3TACR1MEN1ALDH1A1
SCHEMBL3321475 0.88 TACR2 (0.44) TACR2TACR3TACR1MEN1ALDH1A1
SCHEMBL296399 0.86 TACR3 (0.48) TACR2TACR3TACR1MEN1ALDH1A1
SCHEMBL295664 0.86 TACR3 (0.63) TACR2TACR3TACR1MEN1ALDH1A1
SCHEMBL295335 0.84 TACR3 (0.61) TACR2TACR3TACR1MEN1ALDH1A1
SCHEMBL295922 0.84 TACR3 (0.58) TACR2TACR3TACR1CCR5KCNH2
SCHEMBL297464 0.84 TACR2 (0.58) TACR2TACR3TACR1CCR5KCNH2
SCHEMBL8047331 0.84 TACR3 (0.65) TACR2TACR3TACR1MEN1ALDH1A1

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 8 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
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 TACR2 21/4885TACR3 95/4885TACR1 26/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TACR2 21/4885TACR3 95/4885TACR1 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.