SCHEMBL2166020

SCHEMBL2166020

CN1CCN(c2cc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 15/20 0.57
▸ HRH3 Q9Y5N1 5/20 0.57
▸ HRH1 P35367 1/20 0.57
▸ POLB P06746 1/20 0.50
▸ HTR3A P46098 4/20 0.49
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL23010843 0.83 HRH4 (0.56) HRH4HRH3MEN1KMT2A
SCHEMBL6645486 0.80 HRH4 (0.57) HRH4HRH3HRH1POLBHTR3A
SCHEMBL6381282 0.75 HRH4 (0.68) HRH4HRH3HRH1POLB
Jnj-7777120 SCHEMBL186434 0.73 HRH4 (1.00) HRH4HRH3HRH1KMT2A
Jnj-7777120 SCHEMBL29381532 0.73 HRH4 (1.00) HRH4HRH3HRH1KMT2A
SCHEMBL16599078 0.72 DRD2 (0.50) KMT2A
SCHEMBL16598765 0.70 MEN1 (0.46) POLBMEN1KMT2A
SCHEMBL14046591 0.70 NPC1 (0.74) HRH4HRH3HTR3AMEN1KMT2A
SCHEMBL605145 0.69 HRH4 (1.00) HRH4HRH3HRH1HTR3AMEN1
SCHEMBL6645619 0.68 PDGFRB (0.47) HRH4HTR3A

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-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 — — US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 — — 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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HRH1 4/4885

“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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