SCHEMBL5662183

SCHEMBL5662183

CCNC(=O)c1cnc(Cc2ccc3c(c2)CCNCC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 5/20 0.43
▸ HTR2B P41595 2/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL5181956 0.90 MLNR (0.46) MLNRHTR2BPARP1HRH3CYP2D6
SCHEMBL5197271 0.81 HRH3 (0.64) MLNRHRH3CYP2D6
SCHEMBL5663310 0.80 HRH3 (0.43) HRH3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5663067 0.76 SYK (0.48) MLNRHTR2BHRH3CYP2D6NPC1
SCHEMBL5168814 0.74 HRH3 (0.47) MLNRPARP1HRH3CYP2D6NPC1
SCHEMBL5170240 0.71 HRH3 (0.35) PARP1HRH3
SCHEMBL5664637 0.71 HRH3 (0.53) HRH3CYP2D6
SCHEMBL5662176 0.71 HRH3 (0.66) MLNRHRH3CYP2D6
SCHEMBL5170245 0.70 HRH3 (0.35) PARP1HRH3
Hydrochloric Acid SCHEMBL5662921 0.70 HRH3 (0.65) MLNRHRH3CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 — — 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-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 MLNR 590/4885HTR2B 6/4885PARP1 2453/4885

“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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