SCHEMBL238660

SCHEMBL238660

c1ccc2c(c1)COC21CC[N]CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
AVPR1A P37288 4/20 0.47

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
SCHEMBL9615977 0.86 SIGMAR1 (0.54) OPRD1SIGMAR1AVPR1A
SCHEMBL3403510 0.82 SIGMAR1 (0.55) OPRD1SIGMAR1AVPR1A
SCHEMBL11328335 0.81 SIGMAR1 (0.50) OPRD1SIGMAR1
SCHEMBL30389740 0.81 SIGMAR1 (0.50) OPRD1SIGMAR1
SCHEMBL3400315 0.79 SIGMAR1 (0.49) OPRD1SIGMAR1AVPR1A
SCHEMBL29790950 0.79 SIGMAR1 (0.49) OPRD1SIGMAR1AVPR1A
SCHEMBL31415656 0.78 SIGMAR1 (0.53) OPRD1SIGMAR1AVPR1A
SCHEMBL15963043 0.78 SIGMAR1 (0.48) OPRD1SIGMAR1AVPR1A
SCHEMBL8871048 0.78 SIGMAR1 (0.53) OPRD1SIGMAR1AVPR1A
SCHEMBL86971 0.78 SIGMAR1 (0.53) OPRD1SIGMAR1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US claimed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US claimed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US claimed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 US claimed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP claimed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US claimed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 EP claimed
US-20230158039-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2023-05-25 US disclosed
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS VTVX HOLDINGS II LLC 2021-06-24 US disclosed
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2021-03-16 US disclosed
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC 2020-07-09 US disclosed
EP-1878721-A1 4-Piperidylbenzamides as 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors NOVO NORDISK A/S (DK) 2008-01-16 EP disclosed
WO-2007125105-A2 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2007-11-08 WO disclosed
WO-2007125103-A2 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2007-11-08 WO disclosed
WO-2007068718-A1 POLYPEPTIDE PROTRACTING TAGS NOVO NORDISK A/S (DK) 2007-06-21 WO disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US disclosed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 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 (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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 OPRD1 249/4885SIGMAR1 919/4885AVPR1A 200/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 OPRD1 2261/4885SIGMAR1 3020/4885AVPR1A 1779/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 OPRD1 2261/4885SIGMAR1 3020/4885AVPR1A 1779/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 OPRD1 249/4885SIGMAR1 919/4885AVPR1A 200/4885
US-20230158039-A1 BROMODOMAIN INHIBITORS BRD4, BRD1, BRD3 OPRD1 1665/4885SIGMAR1 2095/4885AVPR1A 1825/4885
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD OPRD1 430/4885SIGMAR1 1906/4885AVPR1A 1835/4885
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD OPRD1 430/4885SIGMAR1 1906/4885AVPR1A 1835/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD OPRD1 430/4885SIGMAR1 1906/4885AVPR1A 1835/4885

“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.