Sugi Predict

Sugi Predict / Compounds / SCHEMBL378735

SCHEMBL378735

SCHEMBL378735

C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)Cl)CC1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 2/20 0.52
▸ SLC6A4 P31645 2/20 0.52
▸ TACR1 P25103 1/20 0.52
▸ TSHR P16473 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ FNTA P49354 2/20 0.45
▸ FNTB P49356 1/20 0.45
▸ OPRL1 P41146 1/20 0.44
▸ CCR1 P32246 1/20 0.43

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
SCHEMBL3091638 0.92 ATM (0.55) NPY1RSLC6A4TACR1TSHRALOX15
SCHEMBL378834 0.86 TACR1 (0.48) NPY1RSLC6A4TACR1TSHRALOX15
SCHEMBL378278 0.85 NPSR1 (0.50) NPY1RSLC6A4TACR1TSHRALOX15
SCHEMBL7900592 0.84 NPY1R (0.45) NPY1RSLC6A4TACR1KMT2AALDH1A1
SCHEMBL3714839 0.84 NPC1 (0.49) NPY1RSLC6A4TACR1TSHRALOX15
SCHEMBL379204 0.83 NPSR1 (0.50) NPY1RSLC6A4TACR1TSHRALOX15
SCHEMBL13092152 0.82 TACR1 (0.49) NPY1RSLC6A4TACR1POLBRAB9A
SCHEMBL13092254 0.80 KIT (0.44) NPY1RSLC6A4TACR1POLBKMT2A
SCHEMBL13092577 0.80 TACR1 (0.55) NPY1RSLC6A4TACR1TSHRALOX15
SCHEMBL13092248 0.79 MEN1 (0.45) NPY1RSLC6A4TACR1TSHRALOX15

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 — — EP disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 — — US disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 — — WO disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 — — WO 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 (1 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 NPY1R 298/4885SLC6A4 94/4885TACR1 19/4885

“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.