SCHEMBL18129152

SCHEMBL18129152

NC(CC(=O)N1CCN(C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.57
CACNA1C Q13936 3/20 0.50
CACNA2D1 P54289 1/20 0.50
CACNA1B Q00975 1/20 0.50
CACNB1 Q02641 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRM5 P41594 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
DPP8 Q6V1X1 3/20 0.46
DPP7 Q9UHL4 1/20 0.46
FAP Q12884 1/20 0.46
DPP9 Q86TI2 1/20 0.46
KDM1A O60341 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CACNA1F O60840 2/20 0.43

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
Hydrochloric Acid SCHEMBL16826402 0.99 DPP4 (0.59) DPP4CACNA1CCACNA2D1CACNA1BCACNB1
SCHEMBL16826431 0.82 DPP4 (0.48) DPP4CACNA1CCACNA2D1CACNA1BCACNB1
SCHEMBL26331270 0.81 CACNA2D1 (0.60) CACNA1CCACNA2D1CACNA1BCACNB1SMN1; SMN2
SCHEMBL20353635 0.78 FAAH (0.60) MEN1KMT2ANPSR1KDM1ACHRM4
SCHEMBL3970912 0.77 MEN1 (0.76) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL379160 0.77 MEN1 (0.76) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL7393652 0.77 MEN1 (0.76) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL4814264 0.77 MEN1 (0.76) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL6632417 0.76 MEN1 (0.62) DPP4SMN1; SMN2CYP2C19MEN1KMT2A
SCHEMBL2770527 0.76 RORC (0.48) DPP4SMN1; SMN2CYP2C19MEN1KMT2A

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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC DPP4 274/4885CACNA1C 4128/4885CACNA2D1 2023/4885

“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.