SCHEMBL4454620

SCHEMBL4454620

CC(Cc1ccccc1)CN1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
ADORA3 P0DMS8 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD3 P35462 1/20 0.65
KCNH2 Q12809 1/20 0.65
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 2/20 0.46

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
SCHEMBL4454622 1.00 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL14146050 1.00 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11927700 1.00 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11927701 1.00 EBP (0.70) EBPSIGMAR1ADORA3CHRM1DRD3
Hydrochloric Acid SCHEMBL28017968 0.98 EBP (0.68) EBPSIGMAR1ADORA3CHRM1DRD3
Hydrochloric Acid SCHEMBL28469297 0.98 EBP (0.68) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11461237 0.94 EBP (0.67) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11461196 0.91 EBP (0.67) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL11462886 0.88 SIGMAR1 (0.74) EBPSIGMAR1ADORA3CHRM1DRD3
SCHEMBL9363925 0.87 SIGMAR1 (0.77) EBPSIGMAR1ADORA3CHRM1DRD3

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097398-B1 PROCESS OF PRODUCING AMOROLFINE FREE BASE GALDERMA SA (CH) 2016-03-09 EP disclosed
EP-2398570-B1 PROCESS FOR THE PURIFICATION OF AMOROLFINE HYDROCHLORIDE SYNTECO S P A PRODOTTI DI SINTESI PER L IND CHIMICA E FARMACEUTICA (IT) 2014-09-03 EP disclosed
US-8664381-B2 Process for the preparation and purification of amorolfine hydrochloride SYNTECO S.P.A. (IT) 2014-03-04 US disclosed
US-8664381-B2 Process for the preparation and purification of amorolfine hydrochloride SYNTECO S.P.A. (IT) 2014-03-04 US disclosed
EP-1912961-B1 PROCESS OF PRODUCING BEPROMOLINE GALDERMA SA (CH) 2012-12-05 EP disclosed
US-8242268-B2 Production of bepromoline GALDERMA S.A. (CH) 2012-08-14 US disclosed
US-8242268-B2 Production of bepromoline GALDERMA S.A. (CH) 2012-08-14 US disclosed
US-20110301346-A1 PROCESS FOR THE PURIFICATION OF AMOROLFINE HYDROCHLORIDE SYNTECO S.P.A.-PRODOTTI DI SINTESI PER L'INDUSTRIA CHIMICA E FARMACEUTICA (IT) 2011-12-08 US disclosed
US-20110301346-A1 PROCESS FOR THE PURIFICATION OF AMOROLFINE HYDROCHLORIDE SYNTECO S.P.A.-PRODOTTI DI SINTESI PER L'INDUSTRIA CHIMICA E FARMACEUTICA (IT) 2011-12-08 US disclosed
US-8049007-B2 Preparation of amorolfine GALDERMA S.A. (CH) 2011-11-01 US disclosed
EP-1749825-A1 Process of producing amorolfine Galderma S.A. (CH) 2007-02-07 EP disclosed
EP-1749826-A1 Process of producing bepromoline Galderma S.A. (CH) 2007-02-07 EP disclosed
WO-2007012984-A2 PROCESS OF PRODUCING BEPROMOLINE GALDERMA S.A. (CH) 2007-02-01 WO disclosed
WO-2007012983-A2 PROCESS OF PRODUCING AMOROLFINE GALDERMA S.A. (CH) 2007-02-01 WO disclosed
US-4785100-A BROMINATION FOLLOWED BY AMINATION HUELS AKTIENGESELLSHAFT (DE) 1988-11-15 US disclosed
EP-0024334-B1 MORPHOLINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-07-20 EP disclosed
EP-0017893-B1 PROCESS FOR THE PREPARATION OF HETEROCYCLIC TERTIARY ARALKYL AMINES BASF Aktiengesellschaft (DE) 1982-03-24 EP disclosed
US-4283534-A Reductive alkylation of nitrogen heterocycles BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed
EP-0024334-A1 Morpholine derivatives, process for their production, pharmaceutical preparations containing these derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-03-04 EP disclosed
EP-0017893-A1 Process for the preparation of heterocyclic tertiary aralkyl amines BASF Aktiengesellschaft (DE) 1980-10-29 EP 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-20110301346-A1 PROCESS FOR THE PURIFICATION OF AMOROLFINE HYDROCHLORIDE PAH, PREP, IMPDH1 EBP 3172/4885SIGMAR1 708/4885ADORA3 432/4885

“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.