SCHEMBL1153625

SCHEMBL1153625

CC(NC(=O)CCCCCl)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
FOLH1 Q04609 2/20 0.57
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.49
ENPP2 Q13822 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL13662812 0.85 HTT (0.60) HTTFOLH1ALDH1A1KDM4ECYP3A4
SCHEMBL17838980 0.85 MAPT (0.63) HTTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL17838978 0.85 MAPT (0.63) HTTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL27820665 0.85 HTT (0.63) HTTFOLH1ALDH1A1KDM4ECYP3A4
SCHEMBL4862572 0.83 HTT (0.69) HTTFOLH1ALDH1A1KDM4ECYP3A4
SCHEMBL8021553 0.82 HTT (0.46) HTTFOLH1ALDH1A1KDM4ECYP3A4
SCHEMBL14535437 0.78 HTT (0.71) HTTFOLH1ALDH1A1KDM4ECYP3A4
SCHEMBL19658757 0.78 HTT (0.71) HTTFOLH1ALDH1A1KDM4ECYP3A4
SCHEMBL17966983 0.77 HTT (0.60) HTTFOLH1ALDH1A1KDM4ECYP3A4
SCHEMBL4088429 0.75 HTT (0.58) HTTFOLH1ALDH1A1KDM4ECYP3A4

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 11 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-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
CN-101939315-A Gamma secretase modulators SCHERING CORP 2011-01-05 CN disclosed
EP-2257542-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE Schering Corporation (US) 2010-12-08 EP disclosed
WO-2009108766-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE SCHERING CORPORATION (US) 2009-09-03 WO disclosed
WO-2009108766-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE SCHERING CORPORATION (US) 2009-09-03 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 (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-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 HTT 940/4885FOLH1 307/4885ALDH1A1 1704/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HTT 1298/4885FOLH1 332/4885ALDH1A1 2217/4885

“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.