SCHEMBL2019619

SCHEMBL2019619

CC(C)(C)OC(=O)CC1CCc2cc3ccc(OCc4ccccc4)cc3n21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.41
SRD5A2 P31213 1/20 0.40
GHSR Q92847 5/20 0.39
SPHK2 Q9NRA0 1/20 0.38
ALOX5 P09917 1/20 0.38
HTR3A P46098 1/20 0.38
PRMT5 O14744 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MAOB P27338 1/20 0.37
FFAR1 O14842 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL28519462 0.88 GPR119 (0.46) S1PR1
SCHEMBL2207602 0.87 ALOX5 (0.43) SRD5A2SPHK2ALOX5HTR3AMAOB
SCHEMBL28907787 0.86 ALOX5AP (0.40) YAP1GHSR
SCHEMBL28907781 0.86 S1PR1 (0.46) S1PR1FFAR1HRH3
SCHEMBL2024094 0.84 S1PR1 (0.49) S1PR1S1PR5MAOB
SCHEMBL2017786 0.83 ESR2 (0.36)
SCHEMBL28538177 0.82 S1PR1 (0.50) S1PR1S1PR5
SCHEMBL28521181 0.82 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL2016264 0.82 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL2019880 0.82 SRD5A1 (0.41) SRD5A2S1PR1S1PR5FFAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105816453-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders 艾尼纳制药公司 2021-03-05 CN disclosed
EP-2342205-B1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2016-04-20 EP disclosed
US-20150336966-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. 2015-11-26 US disclosed
EP-2542554-B1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARM INC (US) 2015-11-04 EP disclosed
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-9108969-B2 Substituted tricyclic acid derivatives as S1P1 receptor agonists useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-9085581-B2 Processes for the preparation of S1P1 receptor modulators and crystalline forms thereof ARENA PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8415484-B2 Substituted tricyclic acid derivatives as S1P1 receptor agonists useful in the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals ,Inc. (US) 2011-06-30 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 (5 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-20150336966-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 YAP1 1866/4885SRD5A2 717/4885GHSR 280/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 YAP1 1866/4885SRD5A2 717/4885GHSR 280/4885
US-20130184307-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 YAP1 1866/4885SRD5A2 717/4885GHSR 280/4885
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 YAP1 1821/4885SRD5A2 692/4885GHSR 464/4885
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 YAP1 1880/4885SRD5A2 677/4885GHSR 455/4885

“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.