SCHEMBL14884503

SCHEMBL14884503

CCCN(CCCc1ccc(F)cc1)CCc1ccc(NC)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL14884505 0.90 BCHE (0.49) FFAR1FFAR4BCHEALDH1A1GAA
SCHEMBL13248373 0.84 TAAR1 (0.47) TAAR1BCHE
SCHEMBL3123212 0.82 MAPT (0.49) TAAR1BCHEMAPT
SCHEMBL3118612 0.80 TAAR1 (0.52) FFAR1FFAR4TAAR1BCHE
SCHEMBL3114831 0.77 KCNH2 (0.57) TAAR1HTR2CALDH1A1
SCHEMBL13248370 0.76 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL13811533 0.74 KCNH2 (0.41) HTR2AHTR2BALDH1A1HTT
SCHEMBL13248372 0.74 BCHE (0.52) BCHEMAPT
SCHEMBL14884504 0.73 BCHE (0.48) BCHE
SCHEMBL3113481 0.72 MAPT (0.64) BCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 — — 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-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 FFAR1 54/4885FFAR4 174/4885TAAR1 15/4885

“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.

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