SCHEMBL13155017

SCHEMBL13155017

CCC(C)c1cc2cnc(C)cc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
SCN10A Q9Y5Y9 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
SCHEMBL13187472 0.83 CYP1A2 (0.38) CYP1A2CYP2A6
SCHEMBL13156327 0.76 BRD4 (0.38) CYP1A2CYP2A6
SCHEMBL23487158 0.74 DAO (0.44)
SCHEMBL13062636 0.73 MAPT (0.49) CYP1A2
SCHEMBL23474198 0.71 LOXL2 (0.50) CYP1A2CYP2A6
SCHEMBL7926052 0.71 CYP2A6 (0.43) CYP1A2CYP2A6
SCHEMBL29594787 0.71 CYP2A6 (0.43) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL27145114 0.70 LOXL2 (0.49) CYP1A2CYP2A6
SCHEMBL18557488 0.70 HRH1 (0.39) CYP2A6
SCHEMBL26012345 0.69 ALOX5 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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 (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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885CYP2A6 283/4885SCN10A 4134/4885

“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.