SCHEMBL4391028

SCHEMBL4391028

CCC(CC)N1CCN(C(=O)Oc2cccc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
P2RY12 Q9H244 1/20 0.51
HSD17B10 Q99714 2/20 0.48
PGR P06401 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 3/20 0.47
NCEH1 Q6PIU2 2/20 0.47
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
Hydrochloric Acid SCHEMBL4391025 0.99 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAAP2RY12HSD17B10
SCHEMBL20887175 0.78 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1GAAHSD17B10PGR
SCHEMBL4390886 0.78 KDM4E (0.56) SMN1; SMN2ALDH1A1MAPK1KMT2ARAB9A
Hydrochloric Acid SCHEMBL4390884 0.77 KDM4E (0.55) SMN1; SMN2ALDH1A1MAPK1KMT2ARAB9A
SCHEMBL20886930 0.76 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAAP2RY12HSD17B10
SCHEMBL20886933 0.76 TP53 (0.74) SMN1; SMN2ALDH1A1GAAHSD17B10KMT2A
SCHEMBL20886951 0.76 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1GAAP2RY12HSD17B10
SCHEMBL4384441 0.74 HRH3 (0.57) ALDH1A1POLBHRH3
SCHEMBL13636177 0.73 MGLL (0.52) ALDH1A1GAAKMT2ATP53KDM4E
Hydrochloric Acid SCHEMBL4384439 0.73 HRH3 (0.58) ALDH1A1POLBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO 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 (4 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 SMN1; SMN2 2684/4885ALDH1A1 1907/4885GAA 2830/4885
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL SMN1; SMN2 4233/4885ALDH1A1 1304/4885GAA 21/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL SMN1; SMN2 4133/4885ALDH1A1 1599/4885GAA 26/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 SMN1; SMN2 2684/4885ALDH1A1 1907/4885GAA 2830/4885

“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.