SCHEMBL3069864

SCHEMBL3069864

Cc1c(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.72
AVPR2 P30518 1/20 0.69
POLB P06746 2/20 0.60
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 6/20 0.54
HSD17B10 Q99714 5/20 0.54
LMNA P02545 4/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.52
GLA P06280 2/20 0.52
TSHR P16473 1/20 0.49
CREBBP Q92793 1/20 0.49
HPGD P15428 2/20 0.47
USP2 O75604 2/20 0.47
BRCA1 P38398 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4657197 0.84 AVPR1A (0.77) AVPR1AAVPR2POLBKMT2AALDH1A1
SCHEMBL613242 0.84 AVPR1A (1.00) AVPR1AAVPR2POLBKMT2AMEN1
SCHEMBL4359530 0.82 AVPR1A (1.00) AVPR1AAVPR2POLB
SCHEMBL4659267 0.81 AVPR1A (0.73) AVPR1AAVPR2POLBKMT2AALDH1A1
SCHEMBL10265794 0.81 AVPR1A (0.69) AVPR1AAVPR2POLBKMT2AMEN1
SCHEMBL4658557 0.81 AVPR1A (0.71) AVPR1AAVPR2POLBALDH1A1KDM4E
SCHEMBL4358583 0.80 AVPR1A (0.66) AVPR1AAVPR2POLBHTTKMT2A
SCHEMBL4356064 0.80 AVPR1A (0.71) AVPR1AAVPR2POLB
SCHEMBL613584 0.80 AVPR1A (0.68) AVPR1AAVPR2POLBKMT2AALDH1A1
SCHEMBL4658601 0.80 AVPR1A (0.70) AVPR1AAVPR2POLBKMT2AMEN1

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
EP-1931680-B1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-11-17 EP claimed
EP-1931680-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
WO-2007039438-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives F. HOFFMAN-LA ROCHE AG (CH) 2007-03-29 US claimed
EP-1931680-B1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7790752-B2 Indol-3-yl-carbonyl-azaspiro derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-1931680-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039438-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives F. HOFFMAN-LA ROCHE AG (CH) 2007-03-29 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 (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-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885AVPR2 2/4885POLB 4411/4885

“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.