SCHEMBL6705226

SCHEMBL6705226

N[C@@H](Cc1ccccc1)C(=O)N1CCC(NO)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.56
POLB P06746 1/20 0.54
SMYD3 Q9H7B4 1/20 0.54
OPRD1 P41143 1/20 0.53
ROCK2 O75116 1/20 0.53
CYP3A4 P08684 1/20 0.53
DPP4 P27487 4/20 0.52
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
FAP Q12884 1/20 0.50
TACR1 P25103 1/20 0.48

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
SCHEMBL4969587 0.85 SMYD3 (0.61) HDAC8POLBSMYD3OPRD1ROCK2
SCHEMBL6164884 0.83 OPRD1 (0.60) HDAC8POLBSMYD3OPRD1ROCK2
SCHEMBL6052747 0.83 HDAC8 (0.59) HDAC8POLBOPRD1DPP4DPP8
SCHEMBL4095232 0.83 HDAC8 (0.59) HDAC8POLBOPRD1DPP4DPP8
SCHEMBL4086820 0.83 HDAC8 (0.59) HDAC8POLBOPRD1DPP4DPP8
SCHEMBL6161830 0.80 OPRD1 (0.65) HDAC8POLBSMYD3OPRD1DPP4
SCHEMBL3133533 0.80 OPRD1 (0.65) HDAC8POLBSMYD3OPRD1DPP4
SCHEMBL15927802 0.80 DPP4 (0.58) HDAC8POLBOPRD1ROCK2CYP3A4
SCHEMBL7360693 0.79 HPGD (0.66) HDAC8POLBSMYD3OPRD1DPP4
Hydrochloric Acid SCHEMBL6163295 0.79 HDAC8 (0.63) HDAC8POLBSMYD3OPRD1DPP4

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-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US claimed

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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 HDAC8 1791/4885POLB 2299/4885SMYD3 2561/4885

“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.