SCHEMBL8223186

SCHEMBL8223186

O=C(C1CCN(Cc2cccnc2)CC1)N1CCN(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.62
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ ALDH1A2 O94788 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ ALDH2 P05091 1/20 0.58
▸ ALDH3A1 P30838 1/20 0.58
▸ ALDH1A3 P47895 1/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CACNA1I Q9P0X4 1/20 0.54
▸ ACKR3 P25106 1/20 0.53

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
SCHEMBL14456886 0.91 CYP3A4 (0.69) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL8228179 0.89 ADRB2 (0.77) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL8223222 0.85 ADRB2 (0.76) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL14456717 0.84 ADRB2 (0.62) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL14456710 0.84 ADRB2 (0.67) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL8228226 0.83 ADRB2 (0.69) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL14456711 0.83 ADRB2 (0.65) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL14456890 0.83 ADRB2 (0.62) ADRB2CYP3A4CYP2D6ALDH1A2ALDH1A1
SCHEMBL14456715 0.82 MEN1 (0.69) ADRB2ALDH1A2ALDH1A1ALDH2ALDH3A1
SCHEMBL8223177 0.80 ADRB2 (0.90) ADRB2ALDH1A2ALDH1A1ALDH2ALDH3A1

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
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R ADRB2 44/4885CYP3A4 1140/4885CYP2D6 1688/4885

“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.

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