SCHEMBL8202443

SCHEMBL8202443

O=C1N(c2ccccc2)C(c2ccccc2)C12CCNCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 3/20 0.43
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 2/20 0.41
CYP2D6 P10635 2/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CACNA1H O95180 2/20 0.37
POLB P06746 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
SCHEMBL8212506 0.87 ALDH1A1 (0.43) TRPV1HSD17B10ALDH1A1
SCHEMBL8202509 0.82 TSHR (0.41) TRPV1SMN1; SMN2HSD17B10TSHRUSP2
SCHEMBL21078095 0.80 HSD17B10 (0.37) TRPV1SMN1; SMN2HSD17B10TSHRUSP2
SCHEMBL17888239 0.80 OPRK1 (0.38) TRPV1SMN1; SMN2HSD17B10TSHRUSP2
SCHEMBL17886562 0.78 TRPV1 (0.36) TRPV1SMN1; SMN2HSD11B1HSD17B10TSHR
SCHEMBL12777757 0.77 HSD11B1 (0.50) TRPV1SMN1; SMN2HSD11B1TSHRCACNA1H
SCHEMBL8209942 0.77 HSD11B1 (0.50) SMN1; SMN2HSD11B1CACNA1H
SCHEMBL21788683 0.77 TRPV1 (0.37) TRPV1SMN1; SMN2HSD17B10TSHRUSP2
SCHEMBL14263407 0.76 TRPV1 (0.61) TRPV1SMN1; SMN2ESR1ESR2CACNA1H
SCHEMBL8213443 0.76 CACNA1H (0.52) HSD11B1ESR1ESR2CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof SCHERING CORPORATION 2008-03-27 US disclosed
US-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof SCHERING CORPORATION 2008-03-27 US disclosed
WO-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033465-A1 AZETIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-03-20 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 (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-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, CES1, ZDHHC20 TRPV1 438/4885SMN1; SMN2 511/4885HSD11B1 292/4885
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 TRPV1 771/4885SMN1; SMN2 808/4885HSD11B1 471/4885

“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.