Sugi Predict

Sugi Predict / Compounds / SCHEMBL295534

SCHEMBL295534

SCHEMBL295534

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 4/20 0.58
▸ TACR2 P21452 3/20 0.53
▸ TACR1 P25103 3/20 0.53
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ DCUN1D1 Q96GG9 3/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ UBE2M P61081 2/20 0.40
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ CCR5 P51681 3/20 0.36
▸ C5AR1 P21730 1/20 0.36
▸ OPRK1 P41145 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
SCHEMBL297448 0.90 TACR3 (0.68) TACR3TACR2TACR1DCUN1D1KCNH2
SCHEMBL370292 0.88 TACR3 (0.61) TACR3TACR2TACR1LMNADCUN1D1
SCHEMBL295922 0.88 TACR3 (0.58) TACR3TACR2TACR1DCUN1D1KCNH2
SCHEMBL297239 0.86 TACR3 (0.68) TACR3TACR2TACR1KMT2AMEN1
SCHEMBL296859 0.86 TACR3 (0.68) TACR3TACR2TACR1KMT2AMEN1
SCHEMBL296190 0.85 TACR3 (0.76) TACR3TACR2TACR1KMT2AMEN1
SCHEMBL296439 0.85 TACR3 (0.76) TACR3TACR2TACR1KMT2AMEN1
SCHEMBL12906918 0.85 TACR3 (0.76) TACR3TACR2TACR1KMT2AMEN1
SCHEMBL12906916 0.84 TACR3 (0.76) TACR3TACR2TACR1KMT2AMEN1
SCHEMBL295499 0.84 TACR3 (0.76) TACR3TACR2TACR1KMT2AMEN1

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
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
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

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.