SCHEMBL20033732

SCHEMBL20033732

CCCCCCC(C)(CCCCC)NC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.41
SIGMAR1 Q99720 2/20 0.38
CYP1A2 P05177 1/20 0.38
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
EPHX2 P34913 2/20 0.37
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CNR2 P34972 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 0.96 CYP1A2 (0.42) EPHX1SIGMAR1CYP1A2GNAI3GNAO1
SCHEMBL19334479 0.94 CYP1A2 (0.41) EPHX1SIGMAR1CYP1A2EPHX2
SCHEMBL19983332 0.94 CYP1A2 (0.43) EPHX1SIGMAR1CYP1A2EPHX2
SCHEMBL22752273 0.92 GNAO1 (0.39) EPHX1CYP1A2GNAI3GNAO1GNAI1
SCHEMBL22778636 0.92 GNAO1 (0.39) EPHX1CYP1A2GNAI3GNAO1GNAI1
SCHEMBL21166221 0.91 CYP1A2 (0.42) EPHX1SIGMAR1CYP1A2EPHX2
SCHEMBL23084769 0.89 CYP1A2 (0.39) EPHX1SIGMAR1CYP1A2EPHX2
SCHEMBL21166023 0.89 CYP1A2 (0.39) EPHX1SIGMAR1CYP1A2EPHX2
SCHEMBL22001246 0.88 CYP1A2 (0.35) EPHX1CYP1A2GNAI3GNAO1GNAI1
SCHEMBL23084775 0.87 CYP1A2 (0.42) EPHX1SIGMAR1CYP1A2EPHX2

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
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 EPHX1 2639/4885SIGMAR1 1660/4885CYP1A2 1148/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 EPHX1 2639/4885SIGMAR1 1660/4885CYP1A2 1148/4885

“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.