SCHEMBL8339118

SCHEMBL8339118

Cc1cc(Cl)nnc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.50
TRPV1 Q8NER1 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
ADRB1 P08588 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PDE10A Q9Y233 1/20 0.42
HTR2C P28335 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41

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 0.89 TRPV1 (0.52) BPTFTRPV1MEN1CYP1A2KMT2A
SCHEMBL2743006 0.81 TRPV1 (0.46) BPTFTRPV1CHRNB2CHRNA4HTR2C
SCHEMBL1752994 0.77 TRPV1 (0.44) TRPV1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3542274 0.76 TRPV1 (0.58) TRPV1ALDH1A1MEN1KMT2A
SCHEMBL5466686 0.74 CHRNB2 (0.51) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL195203 0.73 BPTF (0.51) BPTFCHRNB2CHRNA4ADRB1CHRM2
SCHEMBL30282824 0.73 BPTF (0.51) BPTFCHRNB2CHRNA4ADRB1CHRM2
SCHEMBL1828990 0.73 PDE10A (0.50) BPTFCHRNB2CHRNA4ADRB1CHRM2
SCHEMBL1752949 0.72 NPY5R (0.49) ADRB1ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL23432511 0.71 TRPV1 (0.38) TRPV1ALDH1A1CYP1A2CYP3A4HTR1A

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 7 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-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-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
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 BPTF 2373/4885TRPV1 3/4885CHRNB2 1663/4885

“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.