SCHEMBL238791

SCHEMBL238791

c1ccc2c(c1)CCC21CC[N]CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC18A3 Q16572 2/20 0.46
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL29860963 0.85 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL19041309 0.85 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30487943 0.81 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30049093 0.81 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL3739484 0.81 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL23833670 0.81 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30487948 0.81 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30666950 0.79 SIGMAR1 (0.55) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL6269912 0.78 SIGMAR1 (0.51) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL667922 0.77 SIGMAR1 (0.50) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP claimed
WO-2024150146-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES NOVARTIS AG (CH) 2024-07-18 WO disclosed
WO-2023238078-A1 (S)-ENGINEERED OXYNITRILASE POLYPEPTIDES AND USES THEREOF NOVARTIS AG (CH) 2023-12-14 WO 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-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC 2020-07-09 US disclosed
US-10471066-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2019-11-12 US disclosed
US-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2018-10-04 US disclosed
US-20180071304-A1 Phenoxy Acetic Acids and Phenyl Propionic Acids as PPAR Delta Agonists HIGH POINT PHARMACEUTICALS, LLC 2018-03-15 US disclosed
US-9855274-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2018-01-02 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-2007144394-A2 PHARMACEUTICAL USE OF SUBSTITUTED PIPERIDINE CARBOXAMIDES HIGH POINT PHARMACEUTICALS, LLC. (US) 2007-12-21 WO disclosed
WO-2007125103-A2 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2007-11-08 WO disclosed
WO-2007125105-A2 BENZAMIDE GLUCOKINASE ACTIVATORS TRANSTECH PHARMA, INC. (US) 2007-11-08 WO disclosed
WO-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 WO disclosed
WO-2007107550-A1 ADAMANTANE DERIVATIVES FOR THE TREATMENT OF THE METABOLIC SYNDROME HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-27 WO disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 WO disclosed
WO-2007071766-A2 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS TRANSTECH PHARMA (US) 2007-06-28 WO disclosed
WO-2007068718-A1 POLYPEPTIDE PROTRACTING TAGS NOVO NORDISK A/S (DK) 2007-06-21 WO disclosed
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 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 (6 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-20180280326-A1 MEDICAMENT FOR PREVENTING OR INHIBITING ACUTE KIDNEY INJURY AGTR2, AGTR1, REN SIGMAR1 1346/4885ALDH1A1 1765/4885TP53 1200/4885
US-10471066-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD SIGMAR1 1906/4885ALDH1A1 487/4885TP53 2263/4885
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD SIGMAR1 1906/4885ALDH1A1 487/4885TP53 2263/4885
US-20180071304-A1 Phenoxy Acetic Acids and Phenyl Propionic Acids as PPAR Delta Agonists PPARG, PPARA, PPARD SIGMAR1 1906/4885ALDH1A1 487/4885TP53 2263/4885
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD SIGMAR1 1906/4885ALDH1A1 487/4885TP53 2263/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD SIGMAR1 1906/4885ALDH1A1 487/4885TP53 2263/4885

“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.