SCHEMBL2887550

SCHEMBL2887550

Cn1cc(Cc2ccc(C(=O)[N+]3([C@H]4CCNC4)CCCC3)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.42
▸ HTR6 P50406 2/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ TP53 P04637 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ AHR P35869 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PTPN5 P54829 1/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CMA1 P23946 1/20 0.35

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
SCHEMBL2878939 0.81 HDAC6 (0.46) HDAC6HDAC8HDAC1
SCHEMBL4792135 0.79 HDAC6 (0.40) KMT2AHDAC6
SCHEMBL1812812 0.77 SLC6A2 (0.35) SLC6A4HTR6MAPT
SCHEMBL4792573 0.76 CNR2 (0.43) HDAC1
SCHEMBL22768845 0.71 GPR84 (0.61) GPR84TP53KMT2AAHRMEN1
SCHEMBL3844239 0.70 NPC1 (0.36) —
SCHEMBL4792261 0.70 HRH3 (0.52) TP53MAPT
SCHEMBL4791558 0.69 HRH3 (0.37) TP53KMT2AMEN1HDAC6HDAC1
SCHEMBL2879361 0.68 GPR84 (0.56) GPR84TP53KMT2AMEN1PTPN5
SCHEMBL4793844 0.67 HRH3 (0.39) HDAC6HDAC8HDAC1

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-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 — — US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 — — 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 SLC6A4 214/4885HTR6 54/4885GPR84 187/4885

“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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