SCHEMBL825280

SCHEMBL825280

O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2nnc3ccccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.67
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.52
USP2 O75604 2/20 0.50
OXTR P30559 1/20 0.49
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3082472 0.80 AVPR1A (1.00) AVPR1A
SCHEMBL3100293 0.79 FPR2 (0.63) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL825281 0.77 AVPR1A (0.56) AVPR1AMEN1NPC1RAB9AKMT2A
SCHEMBL825204 0.77 AVPR1A (0.71) AVPR1AOXTR
SCHEMBL614997 0.77 AVPR1A (1.00) AVPR1AOXTRHTT
SCHEMBL825151 0.76 AVPR1A (0.56) AVPR1AMEN1NPC1RAB9AKMT2A
SCHEMBL615021 0.76 AVPR1A (0.71) AVPR1AOXTR
SCHEMBL825326 0.76 MEN1 (0.47) AVPR1AMEN1NPC1RAB9AKMT2A
SCHEMBL825328 0.76 MEN1 (0.47) AVPR1AMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL828376 0.75 MEN1 (0.47) AVPR1AMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-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
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 AVPR1A 1/4885MEN1 2419/4885NPC1 4152/4885
US-20080167344-A1 INDOLES AVPR1A, HTR1A, AVPR1B AVPR1A 1/4885MEN1 2419/4885NPC1 4152/4885
US-20080161316-A1 INDOLES AVPR1A, HTR1A, AVPR1B AVPR1A 1/4885MEN1 2419/4885NPC1 4152/4885

“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.