SCHEMBL13082201

SCHEMBL13082201

CCC(C)c1ccc(-n2cnc(C)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
PSEN1 P49768 9/20 0.35
PSEN2 P49810 9/20 0.35
APH1B Q8WW43 9/20 0.35
NCSTN Q92542 9/20 0.35
APH1A Q96BI3 9/20 0.35
PSENEN Q9NZ42 9/20 0.35
KCNJ1 P48048 2/20 0.35
CPB2 Q96IY4 2/20 0.33
SYK P43405 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6124272 0.84 CYP2E1 (0.41) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL12257635 0.80 CYP3A4 (0.55) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL26032975 0.78 KMT2A (0.38) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL18672472 0.78 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL24780239 0.75 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6127814 0.74 CYP2E1 (0.46) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL13003596 0.73 KMT2A (0.41) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL6745604 0.73 KMT2A (0.41) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL24501868 0.73 KMT2A (0.41) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL13082724 0.73 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 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-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP1A2 3479/4885CYP3A4 3850/4885CYP2D6 4319/4885

“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.