SCHEMBL3996386

SCHEMBL3996386

CCC(CC)C(O)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.63
▸ CHRM1 P11229 7/20 0.63
▸ CHRM3 P20309 7/20 0.63
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ SIGMAR1 Q99720 5/20 0.56
▸ DRD4 P21917 2/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ DPP7 Q9UHL4 1/20 0.52

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
SCHEMBL6952267 0.89 CHRM2 (0.65) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL17294676 0.82 CHRM3 (0.72) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3997077 0.82 SIGMAR1 (0.61) CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL3996281 0.80 CHRM2 (0.66) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL13003260 0.80 SIGMAR1 (0.68) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3995763 0.79 SIGMAR1 (0.67) CHRM2CHRM1CHRM3SIGMAR1DRD4
SCHEMBL14161910 0.79 CHRM2 (0.67) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3997295 0.79 SIGMAR1 (0.62) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL3997432 0.78 POLB (0.59) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL6950046 0.78 CHRM2 (0.58) CHRM2CHRM1CHRM3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066619-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-06-10 — — EP claimed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 — — US claimed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 — — WO claimed
EP-2066619-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-06-10 — — EP disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 — — US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 — — US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 — — US disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 — — WO disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 — — WO 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-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 CHRM2 3602/4885CHRM1 3826/4885CHRM3 3225/4885

“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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