SCHEMBL8438291

SCHEMBL8438291

CN1CCC(N2CCCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
L3MBTL3 Q96JM7 7/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
MBTD1 Q05BQ5 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36

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
SCHEMBL8374383 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8272489 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8272492 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8439289 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL358559 0.98 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL8272496 0.98 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL1908657 0.98 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1CYP2D6
SCHEMBL23588990 0.93 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL25853905 0.93 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL15600757 0.93 ALDH1A1 (0.44) ALDH1A1L3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP ALDH1A1 4012/4885L3MBTL3 3906/4885L3MBTL1 4015/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP ALDH1A1 2742/4885L3MBTL3 2301/4885L3MBTL1 2500/4885

“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.