SCHEMBL21363776

SCHEMBL21363776

Cc1nc(N2CCNCC2)n2ncn(C(C)C(C)C)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.41
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 3/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 2/20 0.33
PIM1 P11309 1/20 0.33
TSHR P16473 1/20 0.33
HTR6 P50406 1/20 0.32
DPP4 P27487 6/20 0.32
POLB P06746 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
USP2 O75604 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
CHRM1 P11229 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL21363501 0.86 HTT (0.36) TRPA1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL21363453 0.78 TRPA1 (0.42) TRPA1ALDH1A1CYP1A2HPGDCASP1
SCHEMBL22477716 0.78 TRPA1 (0.49) TRPA1ALDH1A1CYP1A2HPGDCASP1
SCHEMBL22477717 0.77 TRPA1 (0.41) TRPA1ALDH1A1CYP1A2CASP1CASP7
SCHEMBL21363544 0.76 TRPA1 (0.42) TRPA1ALDH1A1CYP1A2HPGDCASP1
SCHEMBL21363437 0.66 HTT (0.43) TRPA1ALDH1A1CYP1A2HSD17B10DPP4
SCHEMBL21363495 0.64 TRPA1 (0.41) TRPA1ALDH1A1CYP1A2CASP1CASP7
SCHEMBL21363653 0.63 HTT (0.38) TRPA1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL13114763 0.59 ADRB1 (0.45) ALDH1A1HSD17B10TSHRHTR6USP2
SCHEMBL27600177 0.57 DPP4 (0.67) ALDH1A1DPP4POLBL3MBTL1

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-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885ALDH1A1 721/4885CYP1A2 753/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885ALDH1A1 721/4885CYP1A2 753/4885

“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.