SCHEMBL17044870

SCHEMBL17044870

CC1(C)[C@@H](C(N)=O)C[C@H]1N(Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.42
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOA P21397 1/20 0.38
OPRM1 P35372 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CXCR3 P49682 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCR5 P51681 1/20 0.35
AGER Q15109 3/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL965719 0.87 LMNA (0.43) CTSDLMNANPSR1MAOAOPRM1
SCHEMBL962823 0.81 MEN1 (0.42) CTSDLMNAOPRM1NPC1MEN1
SCHEMBL963061 0.80 KMT2A (0.41) LMNAOPRM1NPC1MEN1KMT2A
SCHEMBL17044862 0.79 CTSD (0.43) CTSDLMNANPSR1MAOAOPRM1
SCHEMBL17044842 0.79 CTSD (0.36) CTSDLMNANPSR1MAOAOPRM1
SCHEMBL17044841 0.79 CTSD (0.36) CTSDLMNANPSR1MAOAOPRM1
SCHEMBL962485 0.78 HSD11B1 (0.51) LMNAOPRM1RAB9AMEN1KMT2A
SCHEMBL962486 0.78 HSD11B1 (0.51) LMNAOPRM1RAB9AMEN1KMT2A
SCHEMBL962557 0.78 ALDH1A1 (0.48) LMNANPSR1MEN1KMT2ASLC6A2
SCHEMBL13275703 0.72 CTSD (0.47) CTSDLMNAMAOAOPRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082819-B1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2020-06-17 EP disclosed
US-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS LLC 2015-09-03 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-20150246890-A1 SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH PRKCQ, PRKCH, PRKCE CTSD 3672/4885LMNA 499/4885NPSR1 2269/4885

“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.