SCHEMBL3148367

SCHEMBL3148367

O=C(O)[C@H]1CCCN1Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
CYP1A2 P05177 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
F2 P00734 3/20 0.51
SLC6A9 P48067 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
CD274 Q9NZQ7 2/20 0.49
PDCD1 Q15116 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CCR4 P51679 1/20 0.48

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
SCHEMBL2030130 1.00 NPBWR1 (0.53) NPBWR1MCHR1CYP1A2SPHK1F2
SCHEMBL1815987 1.00 NPBWR1 (0.53) NPBWR1MCHR1CYP1A2SPHK1F2
SCHEMBL7814221 0.96 NPBWR1 (0.58) NPBWR1MCHR1SIGMAR1CD274PDCD1
SCHEMBL7814225 0.96 NPBWR1 (0.58) NPBWR1MCHR1SIGMAR1CD274PDCD1
Hydrochloric Acid SCHEMBL7618359 0.95 NPBWR1 (0.57) NPBWR1MCHR1F2CD274PDCD1
SCHEMBL7309417 0.88 SPHK1 (0.63) NPBWR1MCHR1SPHK1F2CD274
SCHEMBL6508602 0.87 MAOB (0.65) SPHK1CD274PDCD1
SCHEMBL6508605 0.87 MAOB (0.65) SPHK1CD274PDCD1
SCHEMBL1819248 0.87 CYP1A2 (0.60) MCHR1CYP1A2SPHK1CD274PDCD1
SCHEMBL1972076 0.87 CYP1A2 (0.60) MCHR1CYP1A2SPHK1CD274PDCD1

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 NPBWR1 941/4885MCHR1 2478/4885CYP1A2 130/4885

“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.