SCHEMBL825323

SCHEMBL825323

O=C(c1cn(Cc2cc(F)cc(F)c2)c2cc(Cl)ccc12)N1CCC(N2C(=O)Cc3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
HSD11B1 P28845 1/20 0.44
AVPR1A P37288 6/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLD1 Q13393 1/20 0.40

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
SCHEMBL828756 0.85 AVPR1A (0.47) OPRM1OPRK1OPRL1HSD11B1AVPR1A
SCHEMBL825148 0.84 AVPR1A (0.59) OPRM1OPRK1OPRL1HSD11B1AVPR1A
SCHEMBL825201 0.83 AVPR1A (0.48) OPRM1OPRK1OPRL1HSD11B1AVPR1A
SCHEMBL825327 0.83 AVPR1A (0.47) OPRM1OPRK1OPRL1HSD11B1AVPR1A
SCHEMBL825238 0.83 AVPR1A (0.59) OPRM1OPRK1OPRL1HSD11B1AVPR1A
Hydrochloric Acid SCHEMBL829428 0.82 AVPR1A (0.46) OPRM1OPRK1OPRL1HSD11B1AVPR1A
SCHEMBL825277 0.82 OXTR (0.49) HSD11B1AVPR1A
SCHEMBL825145 0.82 AVPR1A (0.50) HSD11B1AVPR1ACNR1
SCHEMBL825146 0.81 OXTR (0.50) OPRM1OPRK1OPRL1HSD11B1AVPR1A
SCHEMBL3087480 0.79 AVPR1A (0.62) OPRM1HSD11B1AVPR1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125785-B1 INDOLE-3-YL-CARBONYL-PIPERIDINE- DERIVATIVES FOR THE TREATMENT OF ANXIETY AND DEPRESSIVE DISORDERS VIA V1A RECEPTOR ANTAGONISM HOFFMANN LA ROCHE (CH) 2011-11-16 EP claimed
WO-2011132443-A1 SURFACE ACOUSTIC WAVE DEVICE AND MANUFACTURING METHOD OF SAME 株式会社村田製作所 (JP) 2011-10-27 WO claimed
EP-2125785-A1 INDOLES F. Hoffmann-Roche AG (CH) 2009-12-02 EP claimed
WO-2008080842-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO claimed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US claimed
US-8143281-B2 Indoles HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
US-8143281-B2 Indoles HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2125785-B1 INDOLE-3-YL-CARBONYL-PIPERIDINE- DERIVATIVES FOR THE TREATMENT OF ANXIETY AND DEPRESSIVE DISORDERS VIA V1A RECEPTOR ANTAGONISM HOFFMANN LA ROCHE (CH) 2011-11-16 EP disclosed
EP-2125785-B1 INDOLE-3-YL-CARBONYL-PIPERIDINE- DERIVATIVES FOR THE TREATMENT OF ANXIETY AND DEPRESSIVE DISORDERS VIA V1A RECEPTOR ANTAGONISM HOFFMANN LA ROCHE (CH) 2011-11-16 EP disclosed
WO-2011132443-A1 SURFACE ACOUSTIC WAVE DEVICE AND MANUFACTURING METHOD OF SAME 株式会社村田製作所 (JP) 2011-10-27 WO disclosed
EP-2125785-A1 INDOLES F. Hoffmann-Roche AG (CH) 2009-12-02 EP disclosed
WO-2008080842-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2008080842-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
US-20080167344-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080167344-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161316-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161316-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 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 (3 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-20080161315-A1 INDOLES AVPR1A, HTR1A, AVPR1B OPRM1 154/4885OPRK1 67/4885OPRL1 90/4885
US-20080167344-A1 INDOLES AVPR1A, HTR1A, AVPR1B OPRM1 154/4885OPRK1 67/4885OPRL1 90/4885
US-20080161316-A1 INDOLES AVPR1A, HTR1A, AVPR1B OPRM1 154/4885OPRK1 67/4885OPRL1 90/4885

“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.