SCHEMBL1383352

SCHEMBL1383352

C1=Nc2ccccc2C12CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
HTR2A P28223 4/20 0.36
HTR2C P28335 3/20 0.36
DRD2 P14416 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TSHR P16473 3/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 2/20 0.33
USP2 O75604 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL29444509 1.00 OPRM1 (0.38) OPRM1SIGMAR1HTR2AHTR2CDRD2
SCHEMBL29619567 0.89 HTR2A (0.41) OPRM1SIGMAR1HTR2AHTR2CDRD2
SCHEMBL9364337 0.86 ADORA3 (0.34) ADORA3
SCHEMBL30068180 0.86 ADORA3 (0.34) ADORA3
SCHEMBL26145025 0.82 ADORA3 (0.40) ADORA3
SCHEMBL21834171 0.82 ADORA3 (0.36) ADORA3
SCHEMBL29752687 0.82 ADORA3 (0.36) ADORA3
SCHEMBL25169501 0.81 ADORA3 (0.32) ADORA3
SCHEMBL30921586 0.81 ADORA3 (0.32) ADORA3
SCHEMBL20991112 0.81 ADORA3 (0.39) SLC6A2SLC6A4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4795336-B2 2011-10-19 JP claimed
EP-1750704-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP claimed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US claimed
EP-1750704-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Company (US) 2007-02-14 EP claimed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO claimed
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 US claimed
US-11319312-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED 2022-05-03 US disclosed
US-20210101893-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-04-08 US disclosed
US-10858352-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-12-08 US disclosed
EP-1515969-B2 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2017-10-11 EP disclosed
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 US disclosed
US-9598412-B2 Spiroindoline compounds for use as anthelminthics INTERVET INC. (US) 2017-03-21 US disclosed
EP-0857020-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 1998-08-12 EP disclosed
US-5652235-A Method of using spiro piperidines to promote the release of growth hormone MERCK & CO., INC. (US) 1997-07-29 US disclosed
WO-1997015191-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015574-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015573-A1 PROCESS FOR THE PREPARATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed
US-5536716-A Spiro piperidines and homologs which promote release of growth hormone MERCK & CO., INC. (US) 1996-07-16 US disclosed
EP-0615977-A1 Spiro piperidines and homologs which promote release of growth hormone MERCK & CO. INC. (US) 1994-09-21 EP 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 (4 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-11319312-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 OPRM1 38/4885SIGMAR1 181/4885HTR2A 459/4885
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 OPRM1 128/4885SIGMAR1 242/4885HTR2A 413/4885
US-10858352-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 OPRM1 38/4885SIGMAR1 181/4885HTR2A 459/4885
US-20210101893-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 OPRM1 38/4885SIGMAR1 181/4885HTR2A 459/4885

“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.