SCHEMBL9891910

SCHEMBL9891910

CC(C)C(=O)NCCC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
BCHE P06276 2/20 0.42
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NAMPT P43490 1/20 0.38
PRMT3 O60678 1/20 0.38
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.37
TSHR P16473 1/20 0.36
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
BRD4 O60885 2/20 0.36
PIK3CD O00329 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL11090 0.87 SIGMAR1 (0.49) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL24276406 0.84 SIGMAR1 (0.57) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL13850694 0.83 TSHR (0.53) SIGMAR1BCHENAMPTPRMT3EPHX1
SCHEMBL9891788 0.82 BACE1 (0.41) NAMPTEPHX2DPP4PREPFAP
SCHEMBL9891794 0.82 SIGMAR1 (0.60) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL18421017 0.82 BCHE (0.45) SIGMAR1BCHENAMPTPRMT3EPHX1
SCHEMBL9893063 0.80 BRD4 (0.43) NQO2MTNR1AMTNR1BNAMPTPRMT3
SCHEMBL12413657 0.79 SIGMAR1 (0.57) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL15248911 0.79 NAMPT (0.40) NAMPTPRMT3EPHX2EPHX1BRD4
SCHEMBL6119947 0.78 NAMPT (0.41) NAMPTPRMT3EPHX2EPHX1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019047915-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS BEIGENE, LTD. (KY) 2019-03-14 WO disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (2 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SIGMAR1 212/4885BCHE 3324/4885NQO2 2082/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 SIGMAR1 1530/4885BCHE 1184/4885NQO2 194/4885

“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.