SCHEMBL4533504

SCHEMBL4533504

[2H]C1([2H])N(Cc2ccccc2)CCC(O)(CNC2CC2)C1([2H])[2H]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.47
BACE1 P56817 10/20 0.47
BCHE P06276 8/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
OPRL1 P41146 1/20 0.45
POLB P06746 1/20 0.44
DPP7 Q9UHL4 2/20 0.44
CCR3 P51677 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL4542372 0.88 ACHE (0.56) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL17606641 0.86 ACHE (0.50) ACHEBACE1BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9717982 0.85 ACHE (0.49) ACHEBACE1BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL9178350 0.85 ACHE (0.49) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL15544628 0.74 ACHE (0.49) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL9230559 0.73 POLB (0.50) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL6213916 0.71 OPRL1 (0.59) ACHEMEN1KMT2AOPRL1POLB
SCHEMBL9717983 0.70 ACHE (0.44) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL17325170 0.70 OPRL1 (0.58) MEN1KMT2AOPRL1POLBCCR3
SCHEMBL19322400 0.69 OPRL1 (0.53) KMT2AOPRL1POLBCCR3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 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-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ACHE 4549/4885BACE1 2456/4885BCHE 3491/4885

“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.