SCHEMBL3350976

SCHEMBL3350976

CN1CCC(Oc2ncc(Br)cc2C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.42
SSTR4 P31391 1/20 0.40
HMOX1 P09601 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ATM Q13315 1/20 0.38

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
SCHEMBL3342229 0.88 OPRK1 (0.51) OPRK1
Hydrochloric Acid SCHEMBL10565376 0.81 SCN1A (0.44) CHRM4CHRM5CHRM1CHRM3
SCHEMBL10370980 0.77 KMT2A (0.47) SSTR4CHRM4CHRM5CHRM1CHRM3
SCHEMBL19499257 0.75 NTRK1 (0.47) OPRK1SSTR4
SCHEMBL19499258 0.75 NTRK1 (0.47) OPRK1SSTR4
SCHEMBL19499260 0.75 NTRK1 (0.47) OPRK1SSTR4
SCHEMBL19499259 0.75 NTRK1 (0.47) OPRK1SSTR4
SCHEMBL1505533 0.73 KMT2A (0.42) ATM
SCHEMBL25932085 0.73 LRRK2 (0.43) SSTR4ATM
SCHEMBL10565370 0.73 SCN1A (0.44) CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD OPRK1 634/4885SSTR4 3404/4885HMOX1 450/4885

“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.