SCHEMBL2025544

SCHEMBL2025544

N#CN=C1C(C2CCCCC2)CCN1Cc1c(Cl)cc(-c2ccc(C(=O)N3CCN(CCF)CC3)cc2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 7/20 0.34
FASN P49327 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LSS P48449 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE7B Q9NP56 1/20 0.33
KCNH2 Q12809 1/20 0.33
CTSC P53634 1/20 0.32

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
SCHEMBL2827708 1.00 CHKA (0.37) CHKAHTTKMT2AHRH3FASN
SCHEMBL2302192 0.86 CHKA (0.41) CHKAHTTKMT2AHRH3FASN
SCHEMBL2021298 0.86 CHKA (0.41) CHKAHTTKMT2AHRH3FASN
SCHEMBL2296908 0.86 CHKA (0.41) CHKAHTTKMT2AHRH3FASN
Hydrochloric Acid SCHEMBL2300289 0.86 HTT (0.41) CHKAHTTKMT2AHRH3FASN
Hydrochloric Acid SCHEMBL2300283 0.86 HTT (0.41) CHKAHTTKMT2AHRH3FASN
SCHEMBL2027256 0.81 HRH3 (0.35) CHKAHTTKMT2AHRH3FASN
SCHEMBL2827287 0.81 HRH3 (0.35) CHKAHTTKMT2AHRH3FASN
SCHEMBL1750077 0.73 PDE7B (0.45) CHKAHTTHRH3FASNALDH1A1
SCHEMBL2303903 0.73 PKM (0.45) KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
WO-2011068927-A2 11-β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11B-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 CHKA 1189/4885HTT 3108/4885KMT2A 2829/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 CHKA 2511/4885HTT 2983/4885KMT2A 3808/4885

“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.