SCHEMBL12622887

SCHEMBL12622887

CC1CCC2(CC1)OC(C)c1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.40
▸ SIGMAR1 Q99720 3/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL29190477 0.84 TMEM97 (0.41) TMEM97SIGMAR1ADRA2A
SCHEMBL11401469 0.84 TMEM97 (0.47) TMEM97SIGMAR1ADRA2AOPRM1
SCHEMBL11401467 0.84 TMEM97 (0.47) TMEM97SIGMAR1ADRA2AOPRM1
Hydrochloric Acid SCHEMBL11321319 0.83 TMEM97 (0.46) TMEM97SIGMAR1ADRA2AOPRM1
SCHEMBL3406036 0.81 SIGMAR1 (0.37) TMEM97SIGMAR1ADRA2AOPRM1OPRD1
SCHEMBL736557 0.81 SIGMAR1 (0.52) SIGMAR1ADRA2AOPRM1OPRD1
SCHEMBL2360287 0.81 SIGMAR1 (0.52) SIGMAR1ADRA2AOPRM1OPRD1
SCHEMBL24203981 0.80 MEN1 (0.37) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL11864088 0.80 SIGMAR1 (0.54) SIGMAR1ADRA2AOPRM1OPRD1OPRK1
SCHEMBL30376318 0.80 MEN1 (0.37) SIGMAR1ADRA2AOPRM1OPRD1OPRK1

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-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 — — US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 — — EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 — — US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 — — EP 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-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 TMEM97 997/4885SIGMAR1 121/4885ADRA2A 305/4885

“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.

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