SCHEMBL19251582

SCHEMBL19251582

CCCCC(C)(C)NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
EPHX1 P07099 11/20 0.39
SIGMAR1 Q99720 2/20 0.39
EPHX2 P34913 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.34
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
SCHEMBL23084859 0.94 CYP1A2 (0.42) CYP1A2EPHX1SIGMAR1EPHX2MEN1
SCHEMBL8451118 0.88 EPHX1 (0.37) CYP1A2EPHX1SIGMAR1EPHX2KDM4E
SCHEMBL22001216 0.85 EPHX1 (0.34) CYP1A2EPHX1SIGMAR1EPHX2MEN1
SCHEMBL19173905 0.83 GNAI3 (0.36) CYP1A2EPHX1MEN1KMT2AALDH1A1
SCHEMBL21166219 0.81
SCHEMBL21790799 0.79 CNR2 (0.45) EPHX1
SCHEMBL6062189 0.79 POLB (0.41) CYP1A2EPHX1SIGMAR1EPHX2KDM4E
SCHEMBL7776718 0.79 POLB (0.41) CYP1A2EPHX1SIGMAR1EPHX2KDM4E
SCHEMBL8967535 0.78 CYP1A2 (0.42) CYP1A2EPHX1SIGMAR1EPHX2MEN1
SCHEMBL13741870 0.78 DRD2 (0.33) CYP1A2EPHX1KMT2AKDM4EALDH1A1

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-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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 (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 CYP1A2 1148/4885EPHX1 2639/4885SIGMAR1 1660/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CYP1A2 1148/4885EPHX1 2639/4885SIGMAR1 1660/4885

“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.