SCHEMBL2376093

SCHEMBL2376093

NC(Cc1ccccc1)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.59
OPRD1 P41143 2/20 0.59
TACR1 P25103 1/20 0.57
DPP4 P27487 4/20 0.55
POLB P06746 2/20 0.55
SMYD3 Q9H7B4 1/20 0.54
ALDH1A1 P00352 1/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
DPP7 Q9UHL4 2/20 0.53
FAP Q12884 1/20 0.53
OPRK1 P41145 1/20 0.52
PLAU P00749 1/20 0.50
PLAUR Q03405 1/20 0.50

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
SCHEMBL2376087 1.00 HDAC8 (0.59) HDAC8OPRD1TACR1DPP4POLB
SCHEMBL4778045 0.89 DPP4 (0.52) HDAC8OPRD1TACR1DPP4POLB
SCHEMBL6161830 0.86 OPRD1 (0.65) HDAC8OPRD1TACR1DPP4POLB
SCHEMBL3133533 0.86 OPRD1 (0.65) HDAC8OPRD1TACR1DPP4POLB
SCHEMBL19922945 0.85 DPP7 (0.60) HDAC8OPRD1TACR1DPP4SMYD3
SCHEMBL19922947 0.85 DPP7 (0.60) HDAC8OPRD1TACR1DPP4SMYD3
Hydrochloric Acid SCHEMBL6163295 0.84 HDAC8 (0.63) HDAC8OPRD1TACR1DPP4POLB
SCHEMBL7360693 0.84 HPGD (0.66) HDAC8OPRD1TACR1DPP4POLB
Hydrochloric Acid SCHEMBL6165745 0.84 HDAC8 (0.63) HDAC8OPRD1TACR1DPP4POLB
Hydrochloric Acid SCHEMBL6163301 0.84 HDAC8 (0.63) HDAC8OPRD1TACR1DPP4POLB

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 HDAC8 16/4885OPRD1 3687/4885TACR1 4560/4885

“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.