SCHEMBL5801985

SCHEMBL5801985

O=C(Nc1nncc2ccccc12)C1CCN(c2cccs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 4/20 0.40
KMT2A Q03164 1/20 0.40
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 1/20 0.39
EGFR P00533 3/20 0.38
KDR P35968 3/20 0.38
RECQL P46063 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6072343 0.82 RIPK1 (0.50) ALDH1A1USP2LMNAKMT2ACYP1A2
SCHEMBL5802574 0.81 HSD17B10 (0.43) HSD17B10ALDH1A1USP2LMNAPABPC1
SCHEMBL6072197 0.77 CHRM5 (0.45) HSD17B10ALDH1A1USP2
SCHEMBL4582698 0.76 ULK1 (0.47) ALDH1A1LMNACYP1A2CYP2D6HIF1A
SCHEMBL6071541 0.76 LMNA (0.47) HSD17B10ALDH1A1LMNAPABPC1EIF4H
SCHEMBL5800127 0.73 TSHR (0.52) HSD17B10ALDH1A1LMNAKMT2ATSHR
SCHEMBL29061768 0.69 MAPT (0.49) HSD17B10ALDH1A1LMNAKMT2ANPSR1
SCHEMBL5799412 0.69 HSD17B10 (0.47) HSD17B10ALDH1A1LMNARECQLKDM4E
SCHEMBL5798823 0.69 POLB (0.56) HSD17B10ALDH1A1USP2LMNAKMT2A
SCHEMBL6072100 0.68 HSD17B10 (0.52) HSD17B10ALDH1A1LMNAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 HSD17B10 3088/4885ALDH1A1 1117/4885USP2 3489/4885

“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.