Sugi Predict

Sugi Predict / Compounds / SCHEMBL296465

SCHEMBL296465

SCHEMBL296465

CCN(C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 5/20 0.63
▸ TACR2 P21452 3/20 0.63
▸ TACR1 P25103 3/20 0.63
▸ KCNH2 Q12809 5/20 0.41
▸ GPR119 Q8TDV5 4/20 0.41
▸ CCR5 P51681 4/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ UBE2M P61081 2/20 0.37
▸ DCUN1D1 Q96GG9 2/20 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
SCHEMBL295335 0.94 TACR3 (0.61) TACR3TACR2TACR1KCNH2CCR5
SCHEMBL295664 0.94 TACR3 (0.63) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL295537 0.94 TACR3 (0.59) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296726 0.93 TACR3 (0.69) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL295486 0.91 TACR3 (0.77) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296240 0.91 TACR3 (0.68) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL3279794 0.90 TACR3 (0.75) TACR3TACR2TACR1KCNH2GPR119
SCHEMBL296789 0.89 TACR3 (0.59) TACR3TACR2TACR1CCR5MEN1
SCHEMBL296041 0.87 TACR2 (0.75) TACR3TACR2TACR1CCR5MEN1
SCHEMBL297970 0.86 TACR3 (0.61) TACR3TACR2TACR1KCNH2GPR119

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.