SCHEMBL1602301

SCHEMBL1602301

COC(=O)C1(O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.57
CYP2D6 P10635 9/20 0.57
CYP2C9 P11712 6/20 0.57
CYP2C19 P33261 4/20 0.57
HIF1A Q16665 3/20 0.50
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.49
OPRD1 P41143 5/20 0.47
KMT2A Q03164 1/20 0.46
USP2 O75604 3/20 0.46
ALDH1A1 P00352 2/20 0.46
OPRM1 P35372 5/20 0.46
OPRK1 P41145 5/20 0.46
OPRL1 P41146 5/20 0.46
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 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
SCHEMBL1488335 0.82 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL31037787 0.80 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL1488639 0.79 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL29573681 0.77 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL21582430 0.77 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL4556581 0.77 OPRD1 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL71724 0.74 NPSR1 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6206565 0.74 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL15416236 0.74 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL21582335 0.74 CYP2D6 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024138112-A1 INDAZOLE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2024-06-27 WO disclosed
CN-112979630-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2021-06-18 CN disclosed
EP-3354651-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2021-01-06 EP disclosed
EP-3212643-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-03-20 EP disclosed
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA, NV (BE) 2018-12-11 US disclosed
EP-3354651-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2018-08-01 EP disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 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
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 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
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

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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 CYP3A4 2766/4885CYP2D6 3644/4885CYP2C9 3397/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 CYP3A4 2976/4885CYP2D6 3405/4885CYP2C9 3802/4885
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 CYP3A4 2766/4885CYP2D6 3644/4885CYP2C9 3397/4885
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORA, RORC, RORB CYP3A4 726/4885CYP2D6 1204/4885CYP2C9 3667/4885
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt RORC, RORA, RORB CYP3A4 459/4885CYP2D6 916/4885CYP2C9 1438/4885

“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.