SCHEMBL2733666

SCHEMBL2733666

Cc1cccc2c1C[C@H](O)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.49
CHRM3 P20309 3/20 0.46
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 1/20 0.41
HTR1D P28221 1/20 0.41
DRD3 P35462 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
SCHEMBL2734503 1.00 TRPV1 (0.49) TRPV1CHRM3CHRM2CHRM1HTR1A
SCHEMBL2733639 1.00 TRPV1 (0.49) TRPV1CHRM3CHRM2CHRM1HTR1A
SCHEMBL13091093 0.82 ACHE (0.39) TRPV1
SCHEMBL4813078 0.79 CHRM3 (0.65) CHRM3CHRM2CHRM1HTR1AHTR7
SCHEMBL597327 0.79 CYP2A6 (0.41) TRPV1CHRM3CHRM2CHRM1TSHR
SCHEMBL14591308 0.79 CHRM3 (0.69) CHRM3CHRM2CHRM1HTR1AHTR7
SCHEMBL472446 0.79 CHRM2 (0.67) CHRM3CHRM2CHRM1CYP1A2DRD2
SCHEMBL23045125 0.78 CHRM3 (0.42) TRPV1CHRM3
SCHEMBL23045122 0.78 TRPV1 (0.45) TRPV1CHRM3HTR1AHTR7CYP2D6
SCHEMBL23045121 0.78 TRPV1 (0.45) TRPV1CHRM3HTR1AHTR7CYP2D6

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-8088826-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl-groups; vanilloid receptor antagonists; analgesics antiinflammatory agent; urogenital disorders XENTION LIMITED (GB) 2012-01-03 US disclosed
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists TAJIMI MASAOMI 2009-08-20 US disclosed
US-7544716-B2 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists XENTION LIMITED (GB) 2009-06-09 US disclosed
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2008-11-06 US disclosed
US-7423175-B2 Hydroxy-tetrahydro-naphthalenylurea derivatives BAYER HEALTHCARE AG (DE) 2008-09-09 US disclosed
US-7381840-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl- group; vanilloid receptor antagonists XENTION LIMITED (GB) 2008-06-03 US disclosed
US-20070027187-A1 Hydroxy-tetrahydro-naphthalenylurea derivatives BAYER HEALTHCARE AG (DE) 2007-02-01 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 (3 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-20070027187-A1 Hydroxy-tetrahydro-naphthalenylurea derivatives HVCN1, NMUR1, OPRL1 TRPV1 31/4885CHRM3 551/4885CHRM2 358/4885
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists OPRL1, TRPV1, LTB4R TRPV1 2/4885CHRM3 370/4885CHRM2 274/4885
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES TNNC1, CACNA1H, TNNI3 TRPV1 13/4885CHRM3 412/4885CHRM2 435/4885

“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.