SCHEMBL14749807

SCHEMBL14749807

CCCN1C(=O)NC[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.37
CRY2 Q49AN0 1/20 0.37
GAA P10253 2/20 0.33
ABL1 P00519 2/20 0.33
RIN1 Q13671 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.31
P2RX7 Q99572 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA1 P30542 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL9803351 1.00 PER2 (0.37) PER2CRY2GAAABL1RIN1
SCHEMBL20733170 0.85 GBA1 (0.45) GAAABL1RIN1TDP1TP53
SCHEMBL17741957 0.83
SCHEMBL14749789 0.83
SCHEMBL6285666 0.82 KMT2A (0.39) PER2CRY2P2RX7
SCHEMBL20733251 0.82 PER2 (0.36) PER2CRY2P2RX7
SCHEMBL6287084 0.80 PER2 (0.33) PER2CRY2P2RX7
SCHEMBL6289660 0.79 GAA (0.36) PER2CRY2GAAABL1RIN1
SCHEMBL6284762 0.79 GAA (0.33) PER2CRY2GAAABL1RIN1
SCHEMBL6284173 0.79 CARM1 (0.36) PER2CRY2P2RX7

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 PER2 3570/4885CRY2 4028/4885GAA 1278/4885
US-20130085132-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 PER2 2802/4885CRY2 3994/4885GAA 980/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 PER2 3570/4885CRY2 4028/4885GAA 1278/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 PER2 2802/4885CRY2 3994/4885GAA 980/4885

“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.