SCHEMBL15744006

SCHEMBL15744006

C[C@H]1[C@@H](c2cnccn2)OC(=O)N1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRM2 Q14416 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
SCHEMBL15743987 1.00 P2RX7 (0.31) P2RX7KDM4ECYP3A4THRBTSHR
SCHEMBL13394924 0.81 P2RX7 (0.31) P2RX7
SCHEMBL20780465 0.81 P2RX7 (0.34) P2RX7
SCHEMBL20780466 0.81 P2RX7 (0.34) P2RX7
SCHEMBL13413594 0.81 CYP2E1 (0.35) P2RX7CYP3A4MEN1KMT2ACYP2E1
SCHEMBL13413620 0.81 CYP2E1 (0.35) P2RX7CYP3A4MEN1KMT2ACYP2E1
SCHEMBL13394926 0.81 P2RX7 (0.31) P2RX7
SCHEMBL15743939 0.79 ALDH1A1 (0.41) KDM4ETSHRKMT2A
SCHEMBL22772545 0.78 ADORA3 (0.30)
SCHEMBL22222423 0.76 P2RX7 (0.32) P2RX7CYP3A4CYP2E1CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 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 (3 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP P2RX7 3583/4885KDM4E 1437/4885CYP3A4 446/4885
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 P2RX7 2506/4885KDM4E 3516/4885CYP3A4 4379/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 P2RX7 1601/4885KDM4E 3817/4885CYP3A4 1395/4885

“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.