SCHEMBL20101161

SCHEMBL20101161

Cn1nc(C2CCCCC2)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
BRD4 O60885 3/20 0.39
CREBBP Q92793 3/20 0.39
CACNA1H O95180 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
PDE7A Q13946 3/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
PDE4D Q08499 1/20 0.36
PDE7B Q9NP56 1/20 0.36
MGLL Q99685 1/20 0.35
CRHR1 P34998 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAPK10 P53779 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
SCHEMBL20030887 0.86 KCNH2 (0.45) CNR1BRD4CREBBPCACNA1H
SCHEMBL20030888 0.79 CNR1 (0.43) CNR1BRD4CREBBPMAPT
SCHEMBL30987789 0.78 CNR1 (0.46) CNR1BRD4CREBBPCACNA1H
SCHEMBL705027 0.78 BRD4 (0.39) CNR1BRD4CREBBPCACNA1HMAPK8
Trifluoroacetic Acid SCHEMBL31114899 0.76 CNR1 (0.44) CNR1BRD4CREBBPCACNA1HKDM4C
SCHEMBL15345097 0.75 BRD4 (0.44) CNR1BRD4CREBBPCACNA1HKDM4E
SCHEMBL29734603 0.74 DDB1 (0.43) CNR1KDM4C
SCHEMBL22491582 0.74 DDB1 (0.43) CNR1KDM4C
SCHEMBL30896811 0.74 DDB1 (0.46) CNR1BRD4CREBBPCACNA1HPDE7A
SCHEMBL15333180 0.74 BRD4 (0.43) CNR1BRD4CREBBPCACNA1HMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 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-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CNR1 1097/4885BRD4 1818/4885CREBBP 257/4885

“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.