SCHEMBL1813625

SCHEMBL1813625

O=C(c1ccc(-n2ccc3ccccc32)cc1)C1CCCN1[C@H]1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ BIRC5 O15392 1/20 0.36
▸ MGLL Q99685 4/20 0.35
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL4013186 1.00 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3BIRC5MGLL
SCHEMBL4169878 0.87 MGLL (0.42) MGLLHTR6MAPT
SCHEMBL4167473 0.87 MGLL (0.35) SLC6A4SLC6A2SLC6A3MGLL
SCHEMBL4158782 0.85 FFAR4 (0.39) SLC6A4SLC6A2SLC6A3MGLLHRH3
SCHEMBL4162409 0.85 FFAR4 (0.33) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL4164731 0.85 FFAR4 (0.33) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL4164927 0.85 P2RX7 (0.33) HTR6MAPT
SCHEMBL4166486 0.84 KDM2B (0.40) MAPT
SCHEMBL2884746 0.83 HRH3 (0.51) MGLLHTR6HRH3
SCHEMBL1814722 0.82 KHK (0.44) SLC6A4SLC6A2SLC6A3MGLL

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-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 — — US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 — — 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS HNMT, HRH4, HRH3 SLC6A4 171/4885SLC6A2 87/4885SLC6A3 54/4885

“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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