SCHEMBL4367104

SCHEMBL4367104

CN1C(=O)c2ccccc2C12CCN(C(=O)O)CC2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.60
CCR5 P51681 1/20 0.41
OPRM1 P35372 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
NPY5R Q15761 3/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PGR P06401 1/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4367103 1.00 HRH3 (0.60) HRH3CCR5OPRM1SIGMAR1NPY5R
SCHEMBL8843237 0.83 HRH3 (0.53) HRH3CCR5OPRM1SIGMAR1ALDH1A1
SCHEMBL30372076 0.83 HRH3 (0.51) HRH3CCR5OPRM1SIGMAR1ALDH1A1
SCHEMBL4360931 0.82 HRH3 (0.53) HRH3CCR5
SCHEMBL4360934 0.82 HRH3 (0.53) HRH3CCR5
SCHEMBL30564277 0.80 HRH3 (0.52) HRH3CCR5OPRM1SIGMAR1MAPT
SCHEMBL30620824 0.80 HRH3 (0.52) HRH3CCR5OPRM1SIGMAR1MAPT
SCHEMBL4180163 0.80 NPY5R (0.55) HRH3NPY5RALDH1A1
SCHEMBL1994625 0.79 HRH3 (0.47) HRH3CCR5OPRM1SIGMAR1MAPT
SCHEMBL1999498 0.79 HRH3 (0.47) HRH3CCR5OPRM1SIGMAR1MAPT

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 5 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
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP 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
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 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 (2 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B HRH3 729/4885CCR5 397/4885OPRM1 25/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR HRH3 460/4885CCR5 251/4885OPRM1 30/4885

“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.