SCHEMBL17749033

SCHEMBL17749033

CN1CCC(C)(NC(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
P2RX7 Q99572 1/20 0.34
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
FFAR3 O14843 1/20 0.32
USP5 P45974 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13103020 0.83 DRD2 (0.40) SCN1ASCN2ASCN3AEPHX2CYP1A2
SCHEMBL2694749 0.81
SCHEMBL18347937 0.78 CYP1A2 (0.34) SCN1ASCN2ASCN3AEPHX2CYP1A2
SCHEMBL20068840 0.78 SCN1A (0.33) SCN1ASCN2ASCN3AEPHX2CYP1A2
SCHEMBL16501771 0.78 SCN1A (0.33) OPRM1SCN1ASCN2ASCN3AEPHX2
SCHEMBL16509334 0.78 KDM4E (0.34) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL20069513 0.77 OPRM1 (0.43) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL1694491 0.77
SCHEMBL22310672 0.77 FFAR3 (0.38) P2RX7FFAR3
SCHEMBL25349705 0.76 CYP2D6 (0.44) EPHX2CYP1A2MAPT

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 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 (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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 OPRM1 4350/4885SLC22A1 3944/4885SLC6A4 4368/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 OPRM1 4350/4885SLC22A1 3944/4885SLC6A4 4368/4885

“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.