SCHEMBL2491638

SCHEMBL2491638

Cc1ccccc1-c1cccc(COCCCN)c1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
HTR7 P34969 1/20 0.36
SCN8A Q9UQD0 2/20 0.33
HTR1B P28222 1/20 0.33
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
GBA1 P04062 1/20 0.31
UGCG Q16739 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
HTR2A P28223 1/20 0.31
MAOB P27338 1/20 0.31
MYC P01106 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL2495001 0.91 TAAR1 (0.40) TAAR1HTR7SCN8AFFAR1FFAR4
SCHEMBL2491496 0.86 SCN8A (0.36) SCN8AFFAR1FFAR4GBA1UGCG
SCHEMBL2491945 0.82 FFAR1 (0.36) HTR7SCN8AFFAR1FFAR4HEXA
SCHEMBL2491327 0.81 IDO1 (0.38) TAAR1SCN8AHTR1BGBA1UGCG
SCHEMBL2491622 0.81 TAAR1 (0.43) TAAR1HTR7HTR1BDPP4TOP2A
SCHEMBL10707937 0.77 TAAR1 (0.39) TAAR1SCN8AHTR1BHTR2ANOS3
SCHEMBL1315211 0.75 FFAR1 (0.36) TAAR1HTR7SCN8AFFAR1FFAR4
SCHEMBL4670353 0.74 FFAR1 (0.46) TAAR1HTR7SCN8AFFAR1FFAR4
SCHEMBL2495623 0.72 TAAR1 (0.46) TAAR1HTR7
SCHEMBL1879696 0.72 DPP4 (0.53) SCN8AFFAR1FFAR4DPP4GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 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 (3 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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH TAAR1 225/4885HTR7 241/4885SCN8A 2532/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TAAR1 194/4885HTR7 164/4885SCN8A 2710/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TAAR1 225/4885HTR7 178/4885SCN8A 2739/4885

“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.