SCHEMBL6962434

SCHEMBL6962434

COc1cc(C#N)ccc1OCC1CCCc2[nH]cnc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CYP11B2 P19099 4/20 0.40
ICMT O60725 2/20 0.38
AR P10275 4/20 0.38
LRRK2 Q5S007 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NR3C2 P08235 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
KIT P10721 1/20 0.36
CYP11B1 P15538 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL6967005 0.86 DPP4 (0.41) CYP11B2ICMTARNR3C1
SCHEMBL6966551 0.79 METAP2 (0.43) PPARDPPARAALDH1A1POLB
SCHEMBL6961566 0.79 SLC6A2 (0.43) PPARDPPARAICMTLRRK2
SCHEMBL6966926 0.77 ALDH1A1 (0.33) CYP11B2ALDH1A1POLB
SCHEMBL6941777 0.73 AR (0.49) PPARDPPARACYP11B2ICMTAR
SCHEMBL6967672 0.73 L3MBTL1 (0.43) MAPT
SCHEMBL6961211 0.70 METAP2 (0.43) ALDH1A1
SCHEMBL6944897 0.70 TRPV4 (0.56) ICMTARUSP2MAPTALDH1A1
SCHEMBL11749561 0.68 AR (0.50) PPARDPPARAICMTARUSP2
SCHEMBL523884 0.68 USP2 (0.48) PPARDPPARAICMTARUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US claimed
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 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 (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-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 PPARD 846/4885PPARA 1198/4885CYP11B2 1623/4885

“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.