SCHEMBL12130470

SCHEMBL12130470

CCC(=O)c1ccc(OC(CC)N(CC)CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.45
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL12130702 0.86 MAPT (0.47) RAB9AALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL5424868 0.84 KMT2A (0.38) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL6268025 0.82 CA12 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL12130516 0.78 LTB4R (0.36) ALDH1A1PPARGPPARA
SCHEMBL12130520 0.77 PPARG (0.46) SMN1; SMN2RAB9AALDH1A1MAPTGAA
SCHEMBL11099701 0.76 KMT2A (0.63) ABCB1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1284721 0.75 TDP1 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL10883891 0.75 HDAC3 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7598201 0.74 ABCB1 (0.50) ABCB1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4730249 0.74 SMN1; SMN2 (0.59) ABCB1SMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS SCHWARTZ JEAN-CHARLES (FR) 2011-11-17 US disclosed
US-7910605-B2 Non-imidazole alkylamines as histamine H3- receptor ligands and their therapeutic applications SOCIETE CIVILE BIOPROJET (FR) 2011-03-22 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 (1 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-20110281844-A1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH2 ABCB1 1443/4885SMN1; SMN2 3925/4885RAB9A 3650/4885

“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.