SCHEMBL13610947

SCHEMBL13610947

O=C(c1cn(Cc2cc(F)cc(F)c2)c2ccccc12)N1CCC2(CC1)OCOc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AVPR1A P37288 7/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
IGF2BP1 Q9NZI8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
AVPR2 P30518 1/20 0.39

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
SCHEMBL4356152 0.82 MEN1 (0.49) MEN1KMT2AAVPR1APOLBALDH1A1
SCHEMBL4359440 0.79 MEN1 (0.48) MEN1KMT2AAVPR1APOLBALDH1A1
SCHEMBL4358878 0.77 AVPR1A (0.71) MEN1KMT2AAVPR1AAVPR2
SCHEMBL4359951 0.75 AVPR1A (0.65) MEN1KMT2AAVPR1AALDH1A1LMNA
SCHEMBL4355933 0.74 AVPR1A (0.58) MEN1KMT2AAVPR1A
SCHEMBL2516883 0.73 AVPR1A (0.60) MEN1KMT2AAVPR1AAVPR2
SCHEMBL4759840 0.72 AVPR1A (0.60) MEN1KMT2AAVPR1AMAPTMAPK1
SCHEMBL13971141 0.71 AVPR1A (0.51) MEN1KMT2AAVPR1APOLBL3MBTL1
SCHEMBL4360808 0.71 AVPR1A (0.69) MEN1KMT2AAVPR1AALDH1A1LMNA
SCHEMBL2109196 0.71 PRSS1 (0.61) MEN1KMT2A

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 2 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

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 MEN1 1613/4885KMT2A 2287/4885AVPR1A 1/4885

“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.