SCHEMBL6449705

SCHEMBL6449705

COc1cccc(-c2ccc(-c3ccc(C(C)N(C)C)cc3)cc2)c1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 3/20 0.39
ALOX5 P09917 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
USP2 O75604 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
NEK1 Q96PY6 1/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EDNRB P24530 1/20 0.34

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
SCHEMBL5553967 0.77 MEN1 (0.49) NPSR1NEK1SMN1; SMN2
SCHEMBL8197824 0.73 ALDH1A1 (0.41) NPSR1CA12CA1CA2CA7
SCHEMBL14052509 0.71 SMN1; SMN2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL8200174 0.70 ENPP2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29954337 0.70 ENPP2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6572092 0.68 CA12 (0.33) NPSR1CA12CA1CA2CA7
SCHEMBL6572087 0.67 MEN1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL5553131 0.67 PDCD1 (0.41) ACHENEK1
SCHEMBL3677263 0.66 AKR1C3 (0.66) PTPRCPTPN1AKR1C3AKR1C2PPARG
SCHEMBL14052535 0.65 ALDH1A1 (0.51) CA12CA1CA2CA7CA9

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-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 NPSR1 62/4885ACHE 467/4885ALOX5 2115/4885

“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.