SCHEMBL3762756

SCHEMBL3762756

CC(CCN)N1CCC(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRR1 P24046 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18640340 0.82 PARP1 (0.36) OPRM1OPRL1KDM4ETSHRMCL1
SCHEMBL11498528 0.82 OPRL1 (0.44) OPRM1OPRL1KDM4ETSHRMCL1
SCHEMBL27094636 0.80
SCHEMBL2385429 0.80
SCHEMBL19465902 0.78 MC4R (0.35) OPRM1OPRL1KDM4ETSHRMCL1
SCHEMBL12469211 0.77 GRIA1 (0.39) KDM4EMEN1KMT2A
SCHEMBL4745100 0.77 GRIA1 (0.39) KDM4EMEN1KMT2A
SCHEMBL12685137 0.77 GRIA1 (0.39) KDM4EMEN1KMT2A
SCHEMBL3914623 0.76 GABBR2 (0.34) GABBR2GABBR1KDM4ESMN1; SMN2GABRR1
Hydrochloric Acid SCHEMBL3734569 0.75 GRIA1 (0.38) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 GABBR2 2181/4885GABBR1 2924/4885OPRM1 183/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GABBR2 2181/4885GABBR1 2924/4885OPRM1 183/4885

“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.