SCHEMBL241376

SCHEMBL241376

c1ccc2c(c1)CC1(CC[N]CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1B P35368 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL238796 0.86 ADRA2A (0.37) SIGMAR1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL22717802 0.82 SIGMAR1 (0.41) SIGMAR1ADRA2AHRH3TSHR
SCHEMBL29775334 0.82 SIGMAR1 (0.41) SIGMAR1ADRA2AHRH3TSHR
SCHEMBL15720982 0.77 TSHR (0.41) SIGMAR1ADRA2AHRH3TSHR
SCHEMBL196204 0.76 SIGMAR1 (0.44) SIGMAR1TSHR
SCHEMBL11706445 0.75 ALDH1A1 (0.41) SIGMAR1HRH3TSHR
SCHEMBL30529399 0.75 ALDH1A1 (0.41) SIGMAR1HRH3TSHR
SCHEMBL762112 0.71 TSHR (0.48) TSHR
SCHEMBL29391638 0.71 TSHR (0.48) TSHR
Hydrochloric Acid SCHEMBL25400579 0.70 TSHR (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070280943-A1 SHEDDASE INHIBITORS COMBINED WITH CD30-BINDING IMMUNOTHERAPEUTICS FOR THE TREATMENT OF CD30 POSITIVE DISEASES INCYTE CORPORATION 2007-12-06 US 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-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
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US 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-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 WO disclosed
WO-2007110364-A1 BENZOTHIAZOLES HAVING HISTAMINE H3 RECEPTOR ACTIVITY HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-04 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
US-20070117809-A1 Combination therapy for the treatment of cancer INCYTE CORPORATION 2007-05-24 US disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 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 (7 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-20070117809-A1 Combination therapy for the treatment of cancer TIMP3, ADAMTS1, ADAMTS5 SIGMAR1 4151/4885ADRA2A 2447/4885ADRA2B 2344/4885
US-10471066-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD SIGMAR1 1906/4885ADRA2A 54/4885ADRA2B 62/4885
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD SIGMAR1 1906/4885ADRA2A 54/4885ADRA2B 62/4885
US-20180071304-A1 Phenoxy Acetic Acids and Phenyl Propionic Acids as PPAR Delta Agonists PPARG, PPARA, PPARD SIGMAR1 1906/4885ADRA2A 54/4885ADRA2B 62/4885
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD SIGMAR1 1906/4885ADRA2A 54/4885ADRA2B 62/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD SIGMAR1 1906/4885ADRA2A 54/4885ADRA2B 62/4885
US-20070280943-A1 SHEDDASE INHIBITORS COMBINED WITH CD30-BINDING IMMUNOTHERAPEUTICS FOR THE TREATMENT OF CD30 POSITIVE DISEASES CD2, ENTPD1, PDCD10 SIGMAR1 4741/4885ADRA2A 4638/4885ADRA2B 4630/4885

“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.