SCHEMBL13610489

SCHEMBL13610489

Cc1c(C(=O)N2CCC(O)(c3cc(Cl)ccc3C=O)CC2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.62
AVPR2 P30518 1/20 0.56
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ENPP2 Q13822 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38

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
SCHEMBL4658557 0.84 AVPR1A (0.71) AVPR1AAVPR2POLBALDH1A1KDM4E
SCHEMBL4657197 0.81 AVPR1A (0.77) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL4360897 0.80 AVPR1A (0.83) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL4357941 0.79 AVPR1A (0.63) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL4659267 0.79 AVPR1A (0.73) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL613242 0.77 AVPR1A (1.00) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL615911 0.77 AVPR1A (0.80) AVPR1AAVPR2MEN1KMT2AALDH1A1
SCHEMBL4658559 0.77 AVPR1A (0.70) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL4658601 0.77 AVPR1A (0.70) AVPR1AAVPR2POLBMEN1KMT2A
SCHEMBL4657443 0.75 AVPR1A (0.61) AVPR1AAVPR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 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 (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-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR AVPR1A 1/4885AVPR2 2/4885POLB 4369/4885

“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.