SCHEMBL18924320

SCHEMBL18924320

CCCC(C)Cc1ccc(N(C)C)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
AOC3 Q16853 4/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HCAR3 P49019 1/20 0.32
APP P05067 1/20 0.31
GBA1 P04062 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL8245690 0.81 KCNH2 (0.38) KCNH2HDAC6APP
SCHEMBL24105600 0.79 HRH3 (0.39) PPARGPPARA
SCHEMBL27706788 0.78 KCNH2 (0.36) KCNH2AOC3HDAC6APPCACNA1G
SCHEMBL24973095 0.78 KMT2A (0.41) PPARGPPARA
SCHEMBL24974211 0.77 CYP11B1 (0.37)
SCHEMBL18924321 0.77 CPB2 (0.50)
SCHEMBL19822092 0.77 ALDH1A1 (0.41)
SCHEMBL8427958 0.75 AOC3 (0.43) KCNH2AOC3HDAC6HCAR3GBA1
SCHEMBL24105601 0.75 ADORA3 (0.31) KCNH2
SCHEMBL18924317 0.75 HRH3 (0.31)

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-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 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-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 KCNH2 4720/4885AOC3 2401/4885HDAC6 621/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 KCNH2 4720/4885AOC3 2401/4885HDAC6 621/4885

“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.