SCHEMBL1602149

SCHEMBL1602149

Cc1ccc(Cc2ccc3occc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.55
CTNNB1 P35222 3/20 0.53
WNT3A P56704 3/20 0.53
CYP2A6 P11509 2/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DYRK1A Q13627 3/20 0.40
CDK9 P50750 1/20 0.38
EPM2A O95278 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN6 P29350 1/20 0.37
CDC14A Q9UNH5 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37

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
SCHEMBL1602111 0.84 HTR1B (0.53) HTR1BCTNNB1WNT3ACYP2A6EPM2A
SCHEMBL1602846 0.82 HTR1B (0.51) HTR1BCTNNB1WNT3ACYP2A6CA12
SCHEMBL19117575 0.79 HTR1B (0.51) HTR1BCTNNB1WNT3ACYP2A6EPM2A
SCHEMBL172397 0.78 CTNNB1 (0.54) HTR1BCTNNB1WNT3ACYP2A6CA12
SCHEMBL30455978 0.78 CTNNB1 (0.54) HTR1BCTNNB1WNT3ACYP2A6CA12
SCHEMBL105735 0.77 HTR1B (0.58) HTR1BCTNNB1WNT3ACYP2A6CA12
SCHEMBL1254685 0.76 HTR1B (0.61) HTR1BCTNNB1WNT3ACYP2A6CA12
SCHEMBL15504108 0.76 DYRK1A (0.65) CTNNB1WNT3ACA12CA2DYRK1A
Benzene SCHEMBL28069373 0.75 MAOB (0.52) HTR1BCTNNB1WNT3ACYP2A6CA12
SCHEMBL1603461 0.75 HTR1B (0.48) HTR1BCTNNB1WNT3AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 US disclosed
EP-2121648-A2 S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 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 (2 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 HTR1B 1284/4885CTNNB1 1757/4885WNT3A 3149/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 HTR1B 1284/4885CTNNB1 1757/4885WNT3A 3149/4885

“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.