SCHEMBL14749802

SCHEMBL14749802

COCCN1C(=O)NC[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
PER2 O15055 1/20 0.35
CRY2 Q49AN0 1/20 0.35
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC5A1 P13866 2/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 4/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RGS4 P49798 1/20 0.31
RGS8 P57771 1/20 0.31

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
SCHEMBL10748338 1.00 ALDH1A1 (0.35) ALDH1A1PER2CRY2ATMKDM4E
SCHEMBL6285615 0.80 TSHR (0.34) ALDH1A1PER2CRY2KDM4ETDP1
SCHEMBL14749807 0.79 PER2 (0.37) PER2CRY2TDP1L3MBTL1
SCHEMBL9803351 0.79 PER2 (0.37) PER2CRY2TDP1L3MBTL1
SCHEMBL19357443 0.77 ALDH1A1 (0.33) ALDH1A1ATMKDM4EHPGDTDP1
SCHEMBL14749787 0.77 ALDH1A1 (0.36) ALDH1A1ATMKDM4EHPGDSLC5A1
SCHEMBL19382291 0.77 ALDH1A1 (0.33) ALDH1A1ATMKDM4EHPGDTDP1
SCHEMBL6286451 0.77 PER2 (0.31) PER2CRY2
SCHEMBL20733251 0.77 PER2 (0.36) PER2CRY2
SCHEMBL6285666 0.77 KMT2A (0.39) ALDH1A1PER2CRY2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
EP-2784074-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2014-10-01 EP disclosed
US-8846746-B2 Pyrazole compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-09-30 US disclosed
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-04-04 US disclosed
WO-2013031922-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES 日本たばこ産業株式会社 (JP) 2013-03-07 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-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885PER2 3570/4885CRY2 4028/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 ALDH1A1 676/4885PER2 2802/4885CRY2 3994/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885PER2 3570/4885CRY2 4028/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 ALDH1A1 676/4885PER2 2802/4885CRY2 3994/4885

“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.