SCHEMBL5189804

SCHEMBL5189804

Clc1ccc(C(C2CC2)N2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP19A1 P11511 1/20 0.41
RPS6KB1 P23443 1/20 0.40
CHRM1 P11229 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CHRM2 P08172 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL5187639 0.98 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL11866221 0.82 ALDH1A1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3441626 0.82 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3446579 0.78 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3444754 0.77 CNR1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL6265418 0.75 CNR1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL5411107 0.75 CNR1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL6265419 0.75 CNR1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3391989 0.75 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL7054929 0.74 OPRM1 (0.63) CACNA2D1CACNA1BCACNB1CACNA1COPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807348-A1 MOLECULAR SIEVE SSZ-65 Chevron U.S.A., Inc. (US) 2007-07-18 EP disclosed
US-7083714-B2 Hydrocarbon conversion using molecular sieve SSZ-65 CHEVRON U.S.A. INC. (US) 2006-08-01 US disclosed
WO-2006039213-A1 MOLECULAR SIEVE SSZ-65 CHEVRON U.S.A. INC. (US) 2006-04-13 WO disclosed
US-7011811-B2 Molecular sieve SSZ-65 composition of matter and synthesis thereof CHEVRON U.S.A. INC. (US) 2006-03-14 US disclosed
US-20050040074-A1 Hydrocarbon conversion using molecular sieve SSZ-65 CHEVRON U.S.A. INC. 2005-02-24 US disclosed
US-20050042159-A1 Using molecular sieve SSZ-65 for reduction of oxides of nitrogen in a gas stream CHEVRON U.S.A. INC. 2005-02-24 US disclosed
US-20050042169-A1 Molecular sieve SSZ-65 composition of matter and synthesis thereof CHEVRON U.S.A. INC. 2005-02-24 US disclosed
US-20040187684-A1 Using molecular sieve SSZ-65 for reduction of oxides of nitrogen in a gas stream CHEVRON U.S.A. INC. 2004-09-30 US disclosed
US-20040191167-A1 Zeolite SSZ-65 composition of matter and synthesis thereof utility CHEVRON U.S.A. INC. 2004-09-30 US disclosed
US-20040188324-A1 Hydrocarbon conversion using molecular sieve SSZ-65 CHEVRON U.S.A. INC. 2004-09-30 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 (2 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-20050040074-A1 Hydrocarbon conversion using molecular sieve SSZ-65 SRP72, SSU72, SRP68 CACNA2D1 3141/4885CACNA1B 2640/4885CACNB1 3325/4885
US-20040188324-A1 Hydrocarbon conversion using molecular sieve SSZ-65 SRP72, SSU72, SRP68 CACNA2D1 3195/4885CACNA1B 2743/4885CACNB1 3318/4885

“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.