SCHEMBL4361010

SCHEMBL4361010

O=C1OC2(CCNCC2)c2c(Cl)cccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 3/20 0.40
NPY5R Q15761 4/20 0.39
MAPT P10636 1/20 0.38
NSD2 O96028 1/20 0.38
BCHE P06276 1/20 0.38
DAO P14920 1/20 0.38
CES1 P23141 1/20 0.38
DRD2 P14416 1/20 0.37
PDE7A Q13946 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
CRBN Q96SW2 1/20 0.35
AVPR1A P37288 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL738236 0.81 AVPR1A (0.48) HTR2CHTR2BSIGMAR1NPY5RDRD2
Hydrochloric Acid SCHEMBL6820335 0.79 AVPR1A (0.47) HTR2CHTR2BSIGMAR1NPY5RDRD2
SCHEMBL16836031 0.79 AVPR1A (0.54) HTR2CHTR2BSIGMAR1NPY5RDRD2
SCHEMBL30340339 0.79 AVPR1A (0.54) HTR2CHTR2BSIGMAR1NPY5RDRD2
SCHEMBL737225 0.77 HRH3 (0.46) HTR2CHTR2BSIGMAR1NPY5RMAPT
SCHEMBL1276265 0.76 HTR2C (0.41) HTR2CHTR2BSIGMAR1NPY5RCES1
Hydrochloric Acid SCHEMBL20955703 0.76 HRH3 (0.45) HTR2CHTR2BSIGMAR1NPY5RMAPT
SCHEMBL22058135 0.75 HTR2C (0.40) HTR2CHTR2BSIGMAR1NPY5RDRD2
SCHEMBL29674557 0.75 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1A
SCHEMBL171980 0.75 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1A

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 7 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
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 EP 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
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO 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 HTR2C 55/4885HTR2B 146/4885SIGMAR1 44/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR HTR2C 37/4885HTR2B 99/4885SIGMAR1 53/4885

“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.