SCHEMBL16147752

SCHEMBL16147752

CC1(C)c2cc(Cl)ccc2N(CCC#N)c2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 4/20 0.52
KCNK10 P57789 1/20 0.52
KCNK4 Q9NYG8 1/20 0.52
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRMT1 Q99873 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 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
SCHEMBL16148951 0.82 PKM (0.36) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL16147746 0.78 KMT2A (0.55) RAB9ALMNAALDH1A1KDM4EKMT2A
SCHEMBL29025580 0.76 KCNK2 (0.52) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL16156863 0.74 KCNK2 (0.53) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL17482060 0.72 KCNK2 (0.42) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL17482039 0.70 KCNK2 (0.60) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL4303059 0.70 ITGB2 (0.53) KCNK2RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL30332608 0.69 KCNK2 (1.00) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL17482042 0.69 KCNK2 (0.46) KCNK2KCNK10KCNK4LMNAALDH1A1
SCHEMBL16147668 0.69 KCNK2 (0.63) KCNK2KCNK10KCNK4LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
US-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
EP-2968270-A2 MODULATION OF K2P CHANNELS The Regents of The University of California (US) 2016-01-20 EP disclosed
WO-2014165307-A9 MODULATION OF K2P CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 WO disclosed
WO-2014165307-A2 MODULATION OF K2P CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-09 WO 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-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 KCNK2 2/4885KCNK10 11/4885KCNK4 45/4885

“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.