SCHEMBL613387

SCHEMBL613387

NCCCc1cccc(CCC2CCC(O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 3/20 0.42
SPHK1 Q9NYA1 2/20 0.42
MFN2 O95140 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAOA P21397 2/20 0.37
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
MAOB P27338 1/20 0.36
NOS1 P29475 1/20 0.36
HMGCR P04035 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR6 P50406 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL10236810 0.92 MAOA (0.42) DRD2DRD1TAAR1MAOAMAOB
SCHEMBL613243 0.86 SIGMAR1 (0.43) SPHK2MAOANMT2NMT1MAOB
SCHEMBL612124 0.84 SIGMAR1 (0.46) SPHK2MAOANMT2NMT1OPRM1
SCHEMBL612943 0.84 SIGMAR1 (0.46) SPHK2MAOANMT2NMT1OPRM1
SCHEMBL611391 0.84 SPHK2 (0.32) SPHK2SPHK1TAAR1MAOB
SCHEMBL611144 0.80 PTGER4 (0.47) SPHK2SPHK1MAOAMAOBOPRM1
SCHEMBL614399 0.80 SLC6A4 (0.39) MAOAMAOB
SCHEMBL10455153 0.77 MAOA (0.50) MFN2MAOAMAOB
SCHEMBL612081 0.77 SLC18A3 (0.39) SPHK2SPHK1DRD2DRD1TAAR1
SCHEMBL422194 0.76 MAOA (0.58) DRD2DRD1TAAR1MAOANOS1

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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 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-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SPHK2 118/4885SPHK1 161/4885MFN2 146/4885

“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.