SCHEMBL6124698

SCHEMBL6124698

CCC1(CN)CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6124697 0.96
SCHEMBL20958575 0.85
SCHEMBL31336435 0.83 CYP2C19 (0.44) CYP2C19SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3723554 0.80 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL28216747 0.80 MEN1 (0.48) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL630719 0.78 MEN1 (0.46) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL30832481 0.77 MEN1 (0.50) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL13156117 0.77 MEN1 (0.45) SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL17157174 0.77
SCHEMBL17171331 0.77

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
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2C19 4230/4885SMN1; SMN2 1223/4885MEN1 3513/4885

“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.