SCHEMBL3239207

SCHEMBL3239207

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(N)=S)C2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.44
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.43
RECQL P46063 1/20 0.42
NAMPT P43490 4/20 0.41
EPHX1 P07099 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL15472740 0.92 CYP11B2 (0.42) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL3245456 0.88 GPR119 (0.46) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL31111568 0.87 GPR119 (0.46) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL15472739 0.85 NR1H2 (0.40) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL2344292 0.84 HPGD (0.47) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL31586552 0.84 HPGD (0.47) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL2340756 0.84 HPGD (0.47) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL2343234 0.83 GPR119 (0.43) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL15472744 0.83 GPR119 (0.43) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL2343236 0.83 GPR119 (0.43) GPR119HPGDUSP2SMN1; SMN2EPHX2

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
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-29 US disclosed
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-04-18 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-04 US disclosed
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-04 US disclosed
US-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS PFIZER INC. 2010-05-06 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 (7 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-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2821/4885HPGD 2600/4885USP2 3818/4885
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2821/4885HPGD 2600/4885USP2 3818/4885
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2821/4885HPGD 2600/4885USP2 3818/4885
US-20100113465-A1 7-AZASPIRO[3.5]NONANE-7-CARBOXAMIDE COMPOUNDS FAAH, FAAH2, APEH GPR119 58/4885HPGD 1697/4885USP2 991/4885
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2821/4885HPGD 2600/4885USP2 3818/4885
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BTK, SYK, LCK GPR119 2821/4885HPGD 2600/4885USP2 3818/4885
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPR119 2821/4885HPGD 2600/4885USP2 3818/4885

“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.