SCHEMBL1749634

SCHEMBL1749634

CC(N)CNCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
LMNA P02545 3/20 0.57
SLC16A3 O15427 1/20 0.49
HDAC1 Q13547 2/20 0.48
DNM1 Q05193 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ANPEP P15144 1/20 0.46
BACE1 P56817 1/20 0.46
CCNE2 O96020 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44

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
SCHEMBL19146819 0.89 ANPEP (0.56) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3112742 0.89 ANPEP (0.56) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
Ammonia Solution, Strong SCHEMBL20237223 0.87 ANPEP (0.54) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL20515139 0.87 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6LMNAANPEP
SCHEMBL1752171 0.86 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2D6LMNASLC16A3
SCHEMBL15090295 0.82 ALDH1A1 (0.97) ALDH1A1CYP1A2CYP2D6LMNASLC16A3
SCHEMBL15087836 0.82 ALDH1A1 (0.97) ALDH1A1CYP1A2CYP2D6LMNASLC16A3
Carbamic Acid SCHEMBL7552207 0.81 ANPEP (0.57) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
SCHEMBL11221332 0.79 CHRM2 (0.50) ALDH1A1CYP1A2CYP2D6DNM1MEN1
SCHEMBL13330952 0.78 LMNA (0.60) ALDH1A1CYP2D6LMNADNM1MEN1

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
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US claimed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US claimed
EP-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP claimed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO claimed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 ALDH1A1 742/4885CYP1A2 87/4885CYP2D6 148/4885

“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.