SCHEMBL3584183

SCHEMBL3584183

O=C(c1cccc(C(=O)N2CCNCC2)c1)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.69
HPGD P15428 5/20 0.63
L3MBTL3 Q96JM7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
GABRD O14764 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
GABRA4 P48169 1/20 0.54

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
SCHEMBL8358286 0.95 SIGMAR1 (0.76) SIGMAR1HPGDL3MBTL3L3MBTL1LMNA
SCHEMBL10720984 0.89 HPGD (0.76) HPGDL3MBTL3L3MBTL1SMN1; SMN2LMNA
SCHEMBL20267190 0.88 SIGMAR1 (0.72) SIGMAR1L3MBTL3L3MBTL1SMN1; SMN2LMNA
SCHEMBL7127339 0.87 HPGD (0.77) HPGDL3MBTL3L3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30444118 0.87 SIGMAR1 (0.70) SIGMAR1HPGDL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL4709504 0.87 SIGMAR1 (0.65) SIGMAR1HPGDLMNAALDH1A1HTT
SCHEMBL3583338 0.85 HPGD (0.73) SIGMAR1HPGDL3MBTL3L3MBTL1ALDH1A1
SCHEMBL7252122 0.85 SIGMAR1 (0.67) SIGMAR1ALDH1A1GABRDGABRA1GABRB1
SCHEMBL14107680 0.83 SIGMAR1 (0.65) SIGMAR1HPGDALDH1A1GABRDGABRA1
SCHEMBL8355984 0.83 SIGMAR1 (0.65) SIGMAR1ALDH1A1GABRDGABRA1GABRB1

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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 SIGMAR1 487/4885HPGD 368/4885L3MBTL3 4312/4885

“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.