SCHEMBL21166221

SCHEMBL21166221

CCCCCCC(C)(CCC)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
EPHX1 P07099 11/20 0.41
EPHX2 P34913 2/20 0.41
CNR1 P21554 1/20 0.38
NAAA Q02083 1/20 0.36
CCR2 P41597 1/20 0.35

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
SCHEMBL20033718 0.95 CYP1A2 (0.42) CYP1A2SIGMAR1EPHX1EPHX2CNR1
SCHEMBL19334479 0.93 CYP1A2 (0.41) CYP1A2SIGMAR1EPHX1EPHX2CNR1
SCHEMBL19983332 0.93 CYP1A2 (0.43) CYP1A2SIGMAR1EPHX1EPHX2CNR1
SCHEMBL20033732 0.91 EPHX1 (0.41) CYP1A2SIGMAR1EPHX1EPHX2
SCHEMBL23084775 0.90 CYP1A2 (0.42) CYP1A2SIGMAR1EPHX1EPHX2CNR1
SCHEMBL25007273 0.89 CYP1A2 (0.37) CYP1A2SIGMAR1EPHX1EPHX2
SCHEMBL23084769 0.88 CYP1A2 (0.39) CYP1A2SIGMAR1EPHX1EPHX2CNR1
SCHEMBL21166023 0.88 CYP1A2 (0.39) CYP1A2SIGMAR1EPHX1EPHX2CNR1
SCHEMBL22778636 0.87 GNAO1 (0.39) CYP1A2EPHX1CNR1CCR2
SCHEMBL22752273 0.87 GNAO1 (0.39) CYP1A2EPHX1CNR1CCR2

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-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CYP1A2 1148/4885SIGMAR1 1660/4885EPHX1 2639/4885

“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.