SCHEMBL12367138

SCHEMBL12367138

CN1CC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.69
DRD4 P21917 1/20 0.69
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
GRIN1 Q05586 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL541920 0.82 OPRM1 (1.00) OPRM1DRD4ALDH1A1SMN1; SMN2GRIN2D
SCHEMBL19931803 0.78 OPRM1 (0.50) OPRM1DRD4ALDH1A1SMN1; SMN2LMNA
SCHEMBL1637840 0.77 OPRM1 (0.54) OPRM1DRD4ALDH1A1SMN1; SMN2CHRM2
SCHEMBL9966015 0.76 OPRM1 (0.48) OPRM1DRD4ALDH1A1GRIN2BLMNA
SCHEMBL11738164 0.76 OPRM1 (0.77) OPRM1DRD4GRIN2DGRIN3BCHRM2
SCHEMBL19567293 0.76 OPRM1 (0.48) OPRM1DRD4ALDH1A1LMNASLC6A2
Hydrochloric Acid SCHEMBL11747049 0.75 OPRM1 (0.74) OPRM1DRD4GRIN2DGRIN3BCHRM2
SCHEMBL24119452 0.73 OPRM1 (0.46) OPRM1DRD4ALDH1A1SMN1; SMN2GRIN2D
SCHEMBL27373100 0.73 OPRM1 (0.46) OPRM1DRD4CHRM2KCNH2CYP2D6
SCHEMBL18269494 0.72 AKR1C1 (0.57) OPRM1DRD4ALDH1A1KCNH2LMNA

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-9649303-B2 Methods and treatment for allergies and inflammation associated with gastrointestinal diseases MASTCELL PHARMACEUTICALS, INC. (US) 2017-05-16 US disclosed
US-20140302153-A1 METHODS AND TREATMENT FOR ALLERGIES AND INFLAMMATION ASSOCIATED WITH GASTROINTESTINAL DISEASES MASTCELL PHARMACEUTICALS, INC. (US) 2014-10-09 US disclosed
US-20110206659-A1 METHODS AND TREATMENT FOR ALLERGIES AND INFLAMMATION ASSOCIATED WITH GASTROINTESTINAL DISEASES MASTCELL PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20100166804-A1 METHODS MASTCELL PHARMACEUTICALS, INC. 2010-07-01 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-20110206659-A1 METHODS AND TREATMENT FOR ALLERGIES AND INFLAMMATION ASSOCIATED WITH GASTROINTESTINAL DISEASES CMA1, HRH2, TPSG1 OPRM1 2835/4885DRD4 4837/4885ALDH1A1 1293/4885
US-20100166804-A1 METHODS CPA3, CMA1, HRH2 OPRM1 3413/4885DRD4 3986/4885ALDH1A1 2411/4885
US-20140302153-A1 METHODS AND TREATMENT FOR ALLERGIES AND INFLAMMATION ASSOCIATED WITH GASTROINTESTINAL DISEASES CMA1, HRH2, TPSG1 OPRM1 2835/4885DRD4 4837/4885ALDH1A1 1293/4885

“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.