SCHEMBL9104927

SCHEMBL9104927

CCN(C(=O)c1ccc(Cl)cc1)C(CN1CCCC1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ CHRM2 P08172 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL9104918 1.00 USP2 (0.51) USP2ALOX15TSHRNTSR1MCHR1
SCHEMBL9102724 0.97 USP2 (0.48) USP2ALOX15TSHRNTSR1MCHR1
SCHEMBL9102734 0.97 USP2 (0.48) USP2ALOX15TSHRNTSR1MCHR1
SCHEMBL9100064 0.88 POLB (0.43) CHRM2CYP2D6ADRA2BADRA2CCHRM3
SCHEMBL9100054 0.88 POLB (0.43) CHRM2CYP2D6ADRA2BADRA2CCHRM3
SCHEMBL9102266 0.85 USP2 (0.49) USP2ALOX15TSHRMCHR1
SCHEMBL9102271 0.85 USP2 (0.49) USP2ALOX15TSHRMCHR1
SCHEMBL9100764 0.85 USP2 (0.53) USP2ALOX15TSHRMCHR1
SCHEMBL9100760 0.85 USP2 (0.53) USP2ALOX15TSHRMCHR1
SCHEMBL9273522 0.85 USP2 (0.53) 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 4547/4885TSHR 304/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 USP2 3248/4885ALOX15 4547/4885TSHR 304/4885

“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.

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