SCHEMBL7056724

SCHEMBL7056724

CC(O)CCCc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
GFER P55789 1/20 0.50
MAOA P21397 2/20 0.43
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 3/20 0.39
HTR2A P28223 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
RECQL P46063 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL17100984 0.88 GFER (0.54) MAOBGFERMAOAALDH1A1CYP3A4
SCHEMBL11244317 0.83 GFER (0.54) MAOBGFERMAOAALDH1A1CYP3A4
SCHEMBL27769809 0.82 TAAR1 (0.45) ALDH1A1CYP3A4HRH3
SCHEMBL22164290 0.82 GFER (0.52) MAOBGFERMAOAALDH1A1CYP3A4
SCHEMBL692205 0.82 ESR1 (0.53) ALDH1A1CYP3A4SIGMAR1
SCHEMBL1827950 0.82 IGF1R (0.48) TDP1HRH3
SCHEMBL11540618 0.80 TRPA1 (0.44) CYP19A1SIGMAR1
SCHEMBL8468315 0.80 MAOB (0.50) MAOBGFERMAOAALDH1A1CYP3A4
SCHEMBL560468 0.79 CYP2D6 (0.49) SIGMAR1
SCHEMBL10472566 0.79 CYP2D6 (0.49) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO disclosed
WO-2003026667-A1 QUINAZOLINO- AND QUINOLINO- GUANIDINES AS LIGANDS FOR THE NEUROP EPTIDE FF (NPFF) RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 MAOB 2461/4885GFER 2380/4885MAOA 2697/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 MAOB 923/4885GFER 1869/4885MAOA 1351/4885

“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.