SCHEMBL17523286

SCHEMBL17523286

CC[C@@H]1NC(=O)C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
FPR1 P21462 5/20 0.41
FPR2 P25090 4/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
MEN1 O00255 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL6482507 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4FPR1FPR2
SCHEMBL6482499 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4FPR1FPR2
SCHEMBL6482502 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4FPR1FPR2
SCHEMBL10637116 0.78 FPR1 (0.41) SLC6A3SLC6A2SLC6A4FPR1FPR2
SCHEMBL10642253 0.78 HTT (0.44) FPR1FPR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL10636994 0.77 FPR1 (0.42) SLC6A3SLC6A4FPR1FPR2
SCHEMBL10642709 0.75 FPR1 (0.37) FPR1FPR2TP53GPBAR1
SCHEMBL16065869 0.73 HTT (0.47) ALDH1A1MAPTKMT2ATP53MEN1
SCHEMBL8442229 0.71 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL16055833 0.71 ALDH1A1 (0.46) SLC6A3SLC6A2SLC6A4FPR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 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-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT SLC6A3 4548/4885SLC6A2 4247/4885SLC6A4 4238/4885

“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.