SCHEMBL21871920

SCHEMBL21871920

Cc1ncc2ccccc2c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2A6 P11509 3/20 0.42
CYP1A2 P05177 2/20 0.39
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CCNB1 P14635 2/20 0.37
CCND1 P24385 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
NCEH1 Q6PIU2 1/20 0.36
MAOA P21397 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
PDE10A Q9Y233 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL17301304 0.85 GPR3 (0.41) GPR3KDM4ECYP2A6CYP1A2MAOA
SCHEMBL4881340 0.83 GPR3 (0.42) GPR3KDM4ECYP2A6CYP1A2MAOA
SCHEMBL13171265 0.81 KDM4E (0.44) GPR3KDM4ECYP2A6CYP1A2CDK1
SCHEMBL19448396 0.77 KDM4E (0.40) GPR3KDM4ECYP2A6CYP1A2CDK1
SCHEMBL12258315 0.75 GPR3 (0.50) GPR3KDM4ECYP2A6CYP1A2PDE10A
SCHEMBL24910164 0.75 KDM4E (0.39) GPR3KDM4ECYP2A6CYP1A2CDK4
SCHEMBL17942817 0.74 KDM4E (0.48) GPR3KDM4ECYP2A6CYP1A2MAOA
SCHEMBL22017356 0.73 CYP2A6 (0.44) GPR3KDM4ECYP2A6CYP1A2MAOA
SCHEMBL24910102 0.73 TRPM8 (0.43) GPR3KDM4ECDK1CDK4CCNB1
SCHEMBL19237536 0.73 RAB9A (0.43) KDM4ECYP2A6CYP1A2CDK1CCNB1

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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 GPR3 110/4885KDM4E 2569/4885CYP2A6 524/4885
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 GPR3 82/4885KDM4E 2079/4885CYP2A6 396/4885

“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.