SCHEMBL469195

SCHEMBL469195

CCNC1(c2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.48
OPRL1 P41146 7/20 0.47
OPRK1 P41145 2/20 0.47
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
POLB P06746 1/20 0.44

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
Eticyclidine SCHEMBL66697 0.90 GRIN2D (0.57) GRIN2DGRIN3BGRIA1GRIA2GRIA3
Eticyclidine SCHEMBL10669385 0.88 GRIN2D (0.58) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL5673123 0.87 OPRM1 (0.50) OPRM1OPRL1GRIN2DGRIN3BGRIA1
SCHEMBL19104839 0.86 OPRM1 (0.41) OPRM1OPRL1OPRK1GRIN2DGRIN3B
SCHEMBL19093712 0.85 MEN1 (0.52) OPRM1OPRL1GRIN2DGRIN3BGRIA1
Hydrochloric Acid SCHEMBL19094252 0.85 OPRM1 (0.40) OPRM1OPRL1OPRK1GRIN2DGRIN3B
Eticyclidine SCHEMBL7258514 0.84 GRIN2D (0.51) OPRM1OPRL1GRIN2DGRIN3BGRIA1
SCHEMBL22222298 0.83 GRIN2D (0.50) OPRM1OPRL1OPRK1GRIN2DGRIN3B
SCHEMBL7306255 0.81 OPRL1 (0.58) OPRM1OPRL1POLB
Eticyclidine SCHEMBL8452334 0.81 GRIN2D (0.49) OPRM1OPRL1GRIN2DGRIN3BGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 OPRM1 40/4885OPRL1 13/4885OPRK1 25/4885

“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.