SCHEMBL6071541

SCHEMBL6071541

O=C(Nc1cccnn1)C1CCN(c2cccs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RECQL P46063 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL5802284 0.80 TP53 (0.58) LMNATSHRHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL5800127 0.80 TSHR (0.52) LMNATSHRHSD17B10RECQLSMN1; SMN2
SCHEMBL5802574 0.76 HSD17B10 (0.43) LMNATSHRHSD17B10RECQLSMN1; SMN2
SCHEMBL5801985 0.76 HSD17B10 (0.43) LMNATSHRHSD17B10RECQLSMN1; SMN2
SCHEMBL6072100 0.75 HSD17B10 (0.52) LMNATSHRHSD17B10RECQLALDH1A1
SCHEMBL5798823 0.73 POLB (0.56) LMNAHSD17B10RECQLSMN1; SMN2ALDH1A1
SCHEMBL29061768 0.71 MAPT (0.49) LMNAHSD17B10SMN1; SMN2PKMALDH1A1
SCHEMBL30751765 0.71 HPGD (0.47) SMN1; SMN2HPGD
SCHEMBL15530516 0.71 HPGD (0.47) SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL21641085 0.70 HPGD (0.46) SMN1; SMN2HPGD

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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US 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 LMNA 3237/4885TSHR 3611/4885HSD17B10 3088/4885

“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.