SCHEMBL2494585

SCHEMBL2494585

Cc1ccccc1C(c1ccccc1)(c1ccccc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.50
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CHRM3 P20309 2/20 0.34
CYP2D6 P10635 2/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2491954 0.98 CYP2B6 (0.53) CYP2B6MEN1KMT2AALDH1A1CHRM3
SCHEMBL2488716 0.89 CYP2B6 (0.42) CYP2B6MEN1KMT2AALDH1A1CYP2D6
SCHEMBL2494378 0.87 CYP2B6 (0.46) CYP2B6MEN1KMT2AALDH1A1CYP2D6
SCHEMBL2491431 0.85 ADRB1 (0.49) CYP2B6MEN1KMT2AALDH1A1CHRM3
SCHEMBL27439222 0.85 SMN1; SMN2 (0.45) ALDH1A1CYP3A4CYP2C19LMNAOPRM1
SCHEMBL28748079 0.82 CHRM3 (0.38) CYP2B6MEN1KMT2ACHRM3MAPT
SCHEMBL2392136 0.80 CYP2B6 (0.59) CYP2B6MEN1KMT2AALDH1A1CHRM3
SCHEMBL19296941 0.78 CYP2B6 (0.63) CYP2B6MEN1KMT2ACHRM3CYP2D6
SCHEMBL2491599 0.78 CYP2B6 (0.63) CYP2B6MEN1KMT2ACHRM3CYP2D6
SCHEMBL2492739 0.78 CYP2B6 (0.46) CYP2B6MEN1KMT2ACHRM3CYP2D6

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 CYP2B6 105/4885MEN1 1585/4885KMT2A 2108/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CYP2B6 100/4885MEN1 1346/4885KMT2A 2219/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CYP2B6 110/4885MEN1 1200/4885KMT2A 2287/4885

“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.