SCHEMBL2537508

SCHEMBL2537508

[CH2]CCCCCCC(=O)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTT P42858 1/20 0.39
KDM4C Q9H3R0 12/20 0.37
KDM4A O75164 11/20 0.37
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM7A Q6ZMT4 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
LMNA P02545 1/20 0.36
TBXAS1 P24557 2/20 0.36
FAAH O00519 1/20 0.34

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
SCHEMBL7555162 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL7558675 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL2540699 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL1415984 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL7555488 1.00 ALDH1A1 (0.56) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL497714 0.98 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL497804 0.90
SCHEMBL3189950 0.87 ALDH1A1 (0.70) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL131476 0.84 ALDH1A1 (0.74) ALDH1A1CHRNB2CHRNB4CHRNA4HTT
SCHEMBL10699897 0.84 ALOX5 (0.47) ALDH1A1KDM4CKDM4AKDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 ALDH1A1 3756/4885CHRNB2 217/4885CHRNB4 173/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 ALDH1A1 2837/4885CHRNB2 299/4885CHRNB4 262/4885

“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.