SCHEMBL4902230

SCHEMBL4902230

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
PTPRA P18433 1/20 0.43
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 2/20 0.41
CYP1A2 P05177 1/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
FDPS P14324 1/20 0.40
SYK P43405 1/20 0.40
CYP3A4 P08684 5/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL4890941 1.00 ATM (0.48) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL22559221 1.00 ATM (0.48) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL28579025 0.88 ATM (0.45) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL28579023 0.88 ATM (0.45) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL18127324 0.86 ATM (0.46) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL28583814 0.85 ATM (0.47) ATMPTPRAHDAC6HDAC1CTSS
SCHEMBL30850109 0.84 POLB (0.46) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL20263078 0.84 KLK5 (0.47) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL28588727 0.84 KLK5 (0.47) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL215179 0.82 ACE (0.56) PTPRAHDAC6HDAC1CTSSCTSK

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
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 US disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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 (2 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-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 ATM 1918/4885PTPRA 3318/4885HDAC6 2832/4885
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR ATM 45/4885PTPRA 1820/4885HDAC6 826/4885

“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.