SCHEMBL2490243

SCHEMBL2490243

COc1c(CN2CCNCC2)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CHRM2 P08172 1/20 0.58
SLC6A4 P31645 1/20 0.58
OPRD1 P41143 1/20 0.58
OPRK1 P41145 1/20 0.58
APOBEC3A P31941 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
LMNA P02545 2/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR7 P34969 3/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
GNAI3 P08754 1/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL2492738 0.88 DRD2 (0.47) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL2494621 0.87 MEN1 (0.49) DRD2DRD4DRD3HTR7ALDH1A1
SCHEMBL2491429 0.83 LMNA (0.52) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL2491596 0.80 SIGMAR1 (0.47) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL2472212 0.74 HTR7 (0.64) SLC6A4LMNADRD2DRD4DRD3
SCHEMBL30616744 0.74 HTR7 (0.64) SLC6A4LMNADRD2DRD4DRD3
SCHEMBL15093997 0.74 CD274 (0.57) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Trimetazidine SCHEMBL29375563 0.74 CHRM2 (1.00) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Trimetazidine SCHEMBL230374 0.74 CHRM2 (1.00) CYP1A2CHRM2SLC6A4OPRD1OPRK1
Trimetazidine SCHEMBL11846840 0.74 CHRM2 (1.00) CYP1A2CHRM2SLC6A4OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
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 CYP1A2 28/4885CHRM2 488/4885SLC6A4 1710/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CYP1A2 28/4885CHRM2 292/4885SLC6A4 1431/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CYP1A2 27/4885CHRM2 277/4885SLC6A4 1496/4885

“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.