SCHEMBL19251373

SCHEMBL19251373

CCCCCCC(C)(CCCCC)Oc1cncnc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.35
CNR1 P21554 5/20 0.35
KDM4E B2RXH2 3/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACAT1 P24752 1/20 0.31
SOAT1 P35610 1/20 0.31
GGPS1 O95749 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22752214 1.00 CNR2 (0.35) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL19251171 1.00 CNR2 (0.35) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL19251639 0.98 CNR1 (0.35) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL22752306 0.98 CNR1 (0.35) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL19387704 0.97 CNR1 (0.33) CNR2CNR1CYP1A2CYP2D6CYP2C9
SCHEMBL22752567 0.93 CNR1 (0.34) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL19251646 0.86 CNR2 (0.35) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL19251223 0.86 CYP1A2 (0.30) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22752366 0.81 CNR2 (0.33) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL19251374 0.81 CNR2 (0.33) CNR2CNR1KDM4ETP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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 (1 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CNR2 4524/4885CNR1 4239/4885KDM4E 2371/4885

“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.