SCHEMBL960415

SCHEMBL960415

CCCC[Sn](CCCC)(CCCC)c1ccc(-n2cnc(C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C9 P11712 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP19A1 P11511 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NR2E1 Q9Y466 3/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34

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
SCHEMBL14129986 0.77 CYP2D6 (1.00) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL194561 0.77 PSEN1 (0.49) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL27985278 0.77 CYP1A2 (0.65) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL7809444 0.75 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL1983658 0.73 TSHR (0.32) CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL10280811 0.73 CYP1A2 (0.61) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL14481327 0.72 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL2285981 0.71 CYP1A2 (0.59) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL194670 0.71 CYP1A2 (0.40) CYP3A4CYP2D6CYP2C9CYP1A2CYP19A1
SCHEMBL1452840 0.69 HTT (0.38) CYP3A4CYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
EP-2229381-A1 GAMMA SECRETASE MODULATORS Schering Corporation (US) 2010-09-22 EP disclosed
WO-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 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-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP3A4 3415/4885CYP2D6 4293/4885CYP2C9 4163/4885

“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.