SCHEMBL736508

SCHEMBL736508

COc1ccc2c(c1)C1(CCNCC1)OC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.53
HRH3 Q9Y5N1 2/20 0.48
NPY5R Q15761 2/20 0.47
HTR2C P28335 1/20 0.44
PPIB P23284 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 2/20 0.41
KCNH2 Q12809 1/20 0.41
MALT1 Q9UDY8 2/20 0.40
PDE7A Q13946 1/20 0.39
METAP1 P53582 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 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
Hydrochloric Acid SCHEMBL20955425 0.99 AVPR1A (0.52) AVPR1AHRH3NPY5RHTR2CPPIB
SCHEMBL736532 0.89 AVPR1A (0.53) AVPR1AHRH3NPY5RHTR2CPPIB
Hydrochloric Acid SCHEMBL20955204 0.88 AVPR1A (0.52) AVPR1AHRH3NPY5RHTR2CPPIB
SCHEMBL2214037 0.85 CYP3A4 (0.47) AVPR1AHRH3NPY5RMEN1KMT2A
SCHEMBL2212850 0.81 PDK2 (0.43) AVPR1AHRH3
SCHEMBL11832778 0.80 AVPR1A (0.50) AVPR1ANPY5RMALT1KDM4EALDH1A1
SCHEMBL28606439 0.80 PGR (0.47) HTR2CKMT2AMALT1PDE7AALDH1A1
SCHEMBL22057308 0.78 NPY5R (0.45) AVPR1ANPY5RHTR2CMAPT
SCHEMBL18373156 0.78 NPY5R (0.45) AVPR1ANPY5RHTR2COPRD1MALT1
SCHEMBL3839131 0.78 AVPR1A (0.50) AVPR1ANPY5RHTR2C

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
EP-3083633-A1 SPIRO-OXAZOLONES F.HOFFMANN-LA ROCHE AG (CH) 2016-10-26 EP disclosed
WO-2015091411-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
EP-2535329-A2 Spiro-piperidine derivatives F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-8084609-B2 Vasopressin receptor (V1a) antagonists, treatment of anxiety and depressive disorders and other diseases HOFFMAN-LA ROCHE INC. (US) 2011-12-27 US disclosed
EP-2125726-B1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP disclosed
US-20080161304-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 US disclosed
US-20080153863-A1 SPIROPIPERIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-06-26 US 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
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 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 (8 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-20080153863-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885HRH3 522/4885NPY5R 22/4885
US-20080153861-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885HRH3 522/4885NPY5R 22/4885
US-20080161304-A1 Spiro-piperidine derivatives AVPR1A, AVPR1B, ADRA1A AVPR1A 1/4885HRH3 433/4885NPY5R 53/4885
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B AVPR1A 1/4885HRH3 729/4885NPY5R 200/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 AVPR1A 168/4885HRH3 3405/4885NPY5R 247/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 AVPR1A 158/4885HRH3 3468/4885NPY5R 259/4885
US-20080153862-A1 SPIROPIPERIDINE DERIVATIVES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885HRH3 522/4885NPY5R 22/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR AVPR1A 1/4885HRH3 460/4885NPY5R 79/4885

“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.