SCHEMBL3542274

SCHEMBL3542274

Cc1cc(Cl)nnc1N1CCN(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.58
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMO Q99835 6/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.38
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13407135 0.85 TRPV1 (0.52) TRPV1MEN1KMT2ASMOGFER
SCHEMBL8339118 0.76 BPTF (0.50) TRPV1MEN1KMT2AALDH1A1
SCHEMBL3417311 0.75 AKR1C3 (0.35) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL14735613 0.75 KMT2A (0.38) TRPV1MEN1KMT2ASMOALDH1A1
SCHEMBL8336910 0.74 TRPV1 (1.00) TRPV1MAPTALDH1A1
SCHEMBL1752994 0.74 TRPV1 (0.44) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL3541707 0.74 TRPV1 (0.62) TRPV1MEN1KMT2ASMOLMNA
SCHEMBL8338212 0.74 TRPV1 (1.00) TRPV1MAPT
SCHEMBL29270326 0.72 JAK3 (0.40) TRPV1
SCHEMBL20296761 0.72 SMO (0.46) MEN1KMT2ASMOGFERUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696207-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-04-13 US disclosed
US-20080200472-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-08-21 US disclosed
US-7262194-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2007-08-28 US disclosed
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 WO 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-20080200472-A1 Therapeutic agents useful for treating pain HRH2, OPRL1, TRPV1 TRPV1 3/4885MEN1 4723/4885KMT2A 4186/4885

“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.