SCHEMBL13827596

SCHEMBL13827596

CCCc1cccnc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
OPRL1 P41146 9/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
ADRA2A P08913 2/20 0.38
HTR1A P08908 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
NMT1 P30419 1/20 0.33
DRD4 P21917 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL30917934 0.92 EPHX2 (0.42) GRM5OPRL1GABRA1GABRG2GABRB3
SCHEMBL17029329 0.85 OPRL1 (0.41) OPRL1NISCHNMT1CHRM4
SCHEMBL27513127 0.82 TDP1 (0.38) OPRL1NMT1
SCHEMBL19318462 0.78 DPP4 (0.41) OPRL1
SCHEMBL20817897 0.78 OPRL1 (0.40) OPRL1
SCHEMBL20818441 0.78 KDM4E (0.41) OPRL1NMT1
SCHEMBL22493345 0.78 OPRL1 (0.43) OPRL1ADRA2AHTR1ADRD2DRD3
SCHEMBL29210921 0.77 OPRL1 (0.44) OPRL1NMT1CHRM4
SCHEMBL13819907 0.77 RIPK1 (0.44) OPRL1NMT1
SCHEMBL21662742 0.77 OPRL1 (0.42) OPRL1NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083286-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
US-9926285-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 GRM5 740/4885OPRL1 391/4885GABRA1 738/4885

“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.