SCHEMBL6962539

SCHEMBL6962539

c1ccc(COC2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.45
ADRA1D P25100 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
DPP4 P27487 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL24928590 0.89 ADRA1A (0.55) ADRA1AADRA1DCTSLCTSBCTSK
SCHEMBL6961813 0.77 ADRA1A (0.41) ADRA1AADRA1DHRH3CDC7DBF4
Hydrochloric Acid SCHEMBL6963559 0.76 ADRA1A (0.40) ADRA1AADRA1DHRH3
SCHEMBL6967712 0.73 NAAA (0.44) ADRA1AADRA1DCTSLCTSBCTSK
SCHEMBL6852825 0.72 ADRA1A (0.41) ADRA1ACYP2C19
SCHEMBL7008256 0.71 ADRA1A (0.43) ADRA1AADRA1D
SCHEMBL7985833 0.70 CYP3A4 (0.47) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL23258242 0.70 CARM1 (0.46) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL1288390 0.70 CYP3A4 (0.47) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL12858373 0.69 HCAR2 (0.60) RAB9A

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 4 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 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 ADRA1A 212/4885ADRA1D 374/4885CTSL 4292/4885

“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.