SCHEMBL6502614

SCHEMBL6502614

O[C@@H]1C[C@H](CN2CCC(c3ccccc3)CC2)CCc2ccc(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.60
KCNH2 Q12809 7/20 0.60
OPRM1 P35372 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SLC18A3 Q16572 3/20 0.44
CCR5 P51681 3/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL6493635 1.00 OPRL1 (0.60) OPRL1KCNH2OPRM1MEN1KMT2A
SCHEMBL6493639 1.00 OPRL1 (0.60) OPRL1KCNH2OPRM1MEN1KMT2A
SCHEMBL6492943 0.86 OPRL1 (0.70) OPRL1KCNH2OPRM1SLC18A3GRIN2B
SCHEMBL6490537 0.86 OPRL1 (0.70) OPRL1KCNH2OPRM1SLC18A3GRIN2B
SCHEMBL6490539 0.86 OPRL1 (0.70) OPRL1KCNH2OPRM1SLC18A3GRIN2B
SCHEMBL6491806 0.86 OPRL1 (0.70) OPRL1KCNH2OPRM1SLC18A3GRIN2B
Hydrochloric Acid SCHEMBL6493144 0.85 OPRL1 (0.69) OPRL1KCNH2OPRM1SLC18A3GRIN2B
Hydrochloric Acid SCHEMBL6493150 0.85 OPRL1 (0.69) OPRL1KCNH2OPRM1SLC18A3GRIN2B
SCHEMBL6492403 0.84 OPRL1 (0.57) OPRL1KCNH2OPRM1KDM1AMAOA
SCHEMBL6493842 0.79 OPRL1 (0.67) OPRL1KCNH2OPRM1MEN1KMT2A

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-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US claimed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US claimed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 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 (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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 OPRL1 9/4885KCNH2 706/4885OPRM1 15/4885

“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.