SCHEMBL12936636

SCHEMBL12936636

Cc1ccccc1COC(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MAOB P27338 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
TACR1 P25103 2/20 0.39
FFAR1 O14842 2/20 0.39
CYP2A13 Q16696 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CHRM2 P08172 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
IDO1 P14902 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
SCHEMBL13535458 0.87 MAOB (0.37) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL647871 0.86 IDO1 (0.38) TSHRIDO1
SCHEMBL10851642 0.83 MAOB (0.44) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL8750528 0.83 ESR1 (0.42) ADRA2AADRA2BADRA2CTSHR
SCHEMBL13884107 0.83 MAOB (0.37) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL24331151 0.80 PTPN1 (0.39) TAAR1MAOBTSHR
SCHEMBL4846046 0.80 MAOB (0.45) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL21518166 0.80 TAAR1 (0.42) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL854787 0.80 TAAR1 (0.38) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL13535461 0.79 KDM4E (0.47) TAAR1MAOBADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE TAAR1 3330/4885MAOB 3133/4885ADRA2A 4516/4885
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB TAAR1 1023/4885MAOB 4679/4885ADRA2A 315/4885
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 TAAR1 2233/4885MAOB 3531/4885ADRA2A 2571/4885
US-20150191473-A1 PROTEIN KINASE INHIBITORS TEC, SRC, LCK TAAR1 4173/4885MAOB 3631/4885ADRA2A 4747/4885

“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.