SCHEMBL3586636

SCHEMBL3586636

CC(C)N1CCN(C(=O)c2ccc(N3CCN(C(=O)O)CC3)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.58
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL1860307 0.95 ALDH1A1 (0.60) HRH3ALDH1A1KDM4EPOLBHPGD
SCHEMBL1856613 0.90 KDM4E (0.57) HRH3ALDH1A1KDM4EPOLBHPGD
SCHEMBL6824130 0.85 ALDH1A1 (0.69) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL1859145 0.85 HRH3 (0.67) HRH3HPGD
SCHEMBL30109094 0.84 HRH3 (0.69) HRH3
SCHEMBL1742384 0.81 ALDH1A1 (0.53) HRH3ALDH1A1KDM4EPOLB
SCHEMBL4467331 0.80 HRH3 (0.69) HRH3
SCHEMBL7535374 0.80 HRH3 (0.55) HRH3
Hydrochloric Acid SCHEMBL4003401 0.80 ALDH1A1 (0.52) HRH3ALDH1A1KDM4EPOLBHPGD
SCHEMBL1743019 0.80 HPGD (0.55) HRH3ALDH1A1KDM4EPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1972914-A As histamine H3Non-imidazole heterocyclic compounds of receptor ligands JANSSEN PHARMACEUTICA NV (BE) 2007-05-30 CN claimed
US-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 US disclosed
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-11 US disclosed
US-7423147-B2 Pyridine compounds as histamine H3 modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-09-09 US disclosed
CN-1972914-A As histamine H3Non-imidazole heterocyclic compounds of receptor ligands JANSSEN PHARMACEUTICA NV (BE) 2007-05-30 CN disclosed
US-20050222151-A1 Non-Imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 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 (3 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-20100022539-A1 Isoxazole Compounds as Histamine H3 modulators HRH3, HRH4, HRH1 HRH3 1/4885ALDH1A1 3279/4885KDM4E 893/4885
US-20050222151-A1 Non-Imidazole heterocyclic compounds HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 2417/4885KDM4E 845/4885
US-20080306066-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 2417/4885KDM4E 845/4885

“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.