SCHEMBL5464883

SCHEMBL5464883

O=C(c1cnccn1)N1CCC(c2ccc3c(c2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.47
CHRM2 P08172 1/20 0.44
HRH1 P35367 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL5464368 0.87 HRH3 (0.50) HRH3CYP2D6L3MBTL1NAMPT
SCHEMBL5453465 0.84 HRH3 (0.47) HRH3CYP2D6HRH1L3MBTL3L3MBTL1
SCHEMBL5459682 0.84 HRH3 (0.52) HRH3GAACYP2D6L3MBTL3L3MBTL1
SCHEMBL3091232 0.83 HRH3 (0.68) HRH3CYP2D6HRH1NAMPT
SCHEMBL5465815 0.81 HPGD (0.52) HRH3CYP2D6L3MBTL3L3MBTL1NAMPT
SCHEMBL5458191 0.79 HRH3 (0.58) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL5450187 0.79 HRH3 (0.55) HRH3L3MBTL3L3MBTL1
SCHEMBL5465759 0.79 HRH3 (0.42) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL5672950 0.79 L3MBTL3 (0.57) HRH3L3MBTL3L3MBTL1POLBNAMPT
SCHEMBL5470100 0.77 L3MBTL1 (0.58) HRH3L3MBTL3L3MBTL1NAMPT

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HRH3 38/4885GAA 1910/4885CYP2D6 425/4885

“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.