SCHEMBL9102734

SCHEMBL9102734

CCN(C(=O)c1ccc(Cl)cc1)C(CN1CCC1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ MCHR1 Q99705 1/20 0.41

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
SCHEMBL9102724 1.00 USP2 (0.48) USP2ALOX15OPRM1OPRD1TSHR
SCHEMBL9104927 0.97 USP2 (0.51) USP2ALOX15OPRD1TSHRNTSR1
SCHEMBL9104918 0.97 USP2 (0.51) USP2ALOX15OPRD1TSHRNTSR1
SCHEMBL9100064 0.85 POLB (0.43) OPRD1
SCHEMBL9276014 0.85 USP2 (0.48) USP2ALOX15OPRM1OPRD1TSHR
SCHEMBL9100054 0.85 POLB (0.43) OPRD1
SCHEMBL9104187 0.85 USP2 (0.50) USP2ALOX15TSHRMCHR1
SCHEMBL9104181 0.85 USP2 (0.50) USP2ALOX15TSHRMCHR1
SCHEMBL9102271 0.82 USP2 (0.49) USP2ALOX15TSHRMCHR1
SCHEMBL9102266 0.82 USP2 (0.49) USP2ALOX15TSHRMCHR1

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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 USP2 3248/4885ALOX15 4547/4885OPRM1 973/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 USP2 3248/4885ALOX15 4547/4885OPRM1 973/4885

“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.

Send feedback