SCHEMBL9103203

SCHEMBL9103203

CCCC(CN1CCC1)N(C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KDM2B Q8NHM5 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ NTSR1 P30989 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ TSHR P16473 2/20 0.39

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
SCHEMBL9103194 1.00 SLC6A4 (0.46) SLC6A4SLC6A3KDM2BUSP2ALOX15
SCHEMBL9102627 0.88 HRH3 (0.43) KDM2BOPRM1OPRD1HRH3
SCHEMBL9102635 0.88 HRH3 (0.43) KDM2BOPRM1OPRD1HRH3
SCHEMBL9103016 0.88 SLC6A4 (0.48) SLC6A4SLC6A3NTSR1OPRD1HRH3
SCHEMBL9103009 0.88 SLC6A4 (0.48) SLC6A4SLC6A3NTSR1OPRD1HRH3
SCHEMBL9100799 0.86 KDM2B (0.39) SLC6A4SLC6A3KDM2BMCHR1NTSR1
SCHEMBL9100511 0.86 KDM2B (0.39) SLC6A4SLC6A3KDM2BMCHR1NTSR1
SCHEMBL9100505 0.86 KDM2B (0.39) SLC6A4SLC6A3KDM2BMCHR1NTSR1
SCHEMBL9103163 0.86 HRH3 (0.48) KDM2BOPRM1OPRD1HRH3
SCHEMBL9103155 0.86 HRH3 (0.48) KDM2BOPRM1OPRD1HRH3

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 SLC6A4 1410/4885SLC6A3 1421/4885KDM2B 646/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 SLC6A4 1410/4885SLC6A3 1421/4885KDM2B 646/4885

“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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