SCHEMBL2021907

SCHEMBL2021907

O=C1CCn2c1cc1cc(OCc3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SRD5A2 P31213 1/20 0.50
ALOX5 P09917 1/20 0.49
MAOB P27338 7/20 0.47
MAOA P21397 6/20 0.47
SRD5A1 P18405 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
GRM5 P41594 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPD P32754 1/20 0.44
CA12 O43570 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
SCHEMBL2019621 0.93 MAOB (0.51) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL14327913 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL14329204 0.82 MEN1 (0.46) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL14327910 0.82 MEN1 (0.51) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL14327889 0.82 MEN1 (0.51) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL14327908 0.82 MEN1 (0.51) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL9736347 0.82 GALR3 (0.41) MEN1KMT2AMAOBMAOAHRH3
SCHEMBL9844694 0.82 HRH3 (0.47) MEN1KMT2AHRH3ALDH1A1HPGD
SCHEMBL16918467 0.82 SRD5A2 (0.50) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL2016771 0.82 SRD5A2 (0.50) NPC1RAB9AMEN1KMT2ASRD5A2

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 25 patents — showing the first 20. 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
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-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2015-10-08 US 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-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2012-12-27 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
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
EP-2342205-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2011-07-13 EP 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
WO-2010027431-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-11 WO disclosed
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
WO-1992021678-A1 LIPOXYGENASE INHIBITING PYRROLO [1,2a]INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-12-10 WO disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 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-20150336966-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 NPC1 893/4885RAB9A 3522/4885MEN1 477/4885
US-20110160243-A1 SUBSTITUTED TRICYCLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR5, S1PR3 NPC1 893/4885RAB9A 3522/4885MEN1 477/4885
US-20120329848-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 NPC1 750/4885RAB9A 2135/4885MEN1 2072/4885
US-20150284399-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF S1PR1, S1PR5, S1PR2 NPC1 781/4885RAB9A 2139/4885MEN1 2159/4885

“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.