SCHEMBL586455

SCHEMBL586455

COc1ccc2c(n1)N(C1CCC1)C(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.47
HTR2C P28335 4/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP3A4 P08684 1/20 0.34
CTSE P14091 1/20 0.34
CYP2C19 P33261 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL1272256 0.72 OPRL1 (0.78) OPRL1OPRM1OPRK1
SCHEMBL551665 0.71 OPRL1 (0.63) OPRL1HTR2CHTR2AHTR2BOPRM1
SCHEMBL1149585 0.70 GAA (0.51) HTR2CHTR2AHTR2BALDH1A1CHRM2
SCHEMBL586456 0.69 HTR2C (0.36) OPRL1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL1150359 0.68 OPRL1 (0.43) OPRL1CHRNB4CHRNA3OPRM1OPRK1
SCHEMBL29990662 0.66 KMT2A (0.43) OPRL1CHRNB4CHRNA3OPRM1OPRK1
SCHEMBL22174938 0.66 KMT2A (0.43) OPRL1CHRNB4CHRNA3OPRM1OPRK1
SCHEMBL11976979 0.66 OPRM1 (0.38) OPRL1CHRNB4CHRNA3OPRM1OPRK1
SCHEMBL1271732 0.65 OPRL1 (0.78) OPRL1OPRM1OPRK1
SCHEMBL21840668 0.65 CYP1A2 (0.40) OPRL1OPRM1OPRK1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
EP-2417133-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117935-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 OPRL1 3977/4885HTR2C 3953/4885HTR2A 4109/4885

“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.