SCHEMBL16147746

SCHEMBL16147746

CC1(C)c2ccccc2N(CCC#N)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 2/20 0.55
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 4/20 0.42
HTT P42858 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TP53 P04637 2/20 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
SCHEMBL9736357 0.87 KMT2A (0.43) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL13231573 0.83 KMT2A (0.68) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL28501538 0.78 KMT2A (0.62) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL16148951 0.78 PKM (0.36) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL16147752 0.78 KCNK2 (0.52) KMT2ACYP1A2CYP2D6LMNAMEN1
SCHEMBL631694 0.77 ELANE (0.41) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL17739604 0.75 KMT2A (0.68) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL17206409 0.74 KMT2A (0.56) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL29929850 0.74 KMT2A (0.56) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL29025681 0.72 CYP2D6 (0.64) KMT2ACYP1A2CYP2D6MAPTLMNA

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 KMT2A 449/4885CYP1A2 4482/4885CYP2D6 4473/4885

“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.