SCHEMBL5459946

SCHEMBL5459946

O=C(c1ccc2ncsc2c1)N1CCN(c2ccc3c(c2)CCN(C2CCCC2)CC3)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OXTR P30559 1/20 0.47
HSD11B1 P28845 2/20 0.47
HRH3 Q9Y5N1 4/20 0.46
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
GPR183 P32249 1/20 0.45
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5455010 0.82 GRIA3 (0.53) LMNAGAAHTTALDH1A1HRH3
SCHEMBL3090019 0.81 HRH3 (0.67) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL5459697 0.81 L3MBTL3 (0.57) ALDH1A1HRH3L3MBTL1KDM4EPOLB
SCHEMBL5455826 0.80 GRIA3 (0.53) LMNAHRH3L3MBTL1TMEM97SIGMAR1
SCHEMBL5464881 0.80 KDM4E (0.60) GAAALDH1A1SMN1; SMN2HRH3L3MBTL1
SCHEMBL5459085 0.80 L3MBTL3 (0.52) MAPTALDH1A1HRH3L3MBTL1KDM4E
SCHEMBL5472454 0.80 HRH3 (0.64) LMNAALDH1A1HRH3L3MBTL1KDM4E
SCHEMBL14440465 0.80 HRH3 (0.53) ALDH1A1HRH3L3MBTL1KDM4EPOLB
SCHEMBL5465885 0.79 KDM4E (0.60) LMNAHTTALDH1A1HRH3L3MBTL1
SCHEMBL5465825 0.79 LMNA (0.58) LMNAGAAHTTMAPTALDH1A1

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 LMNA 2046/4885CYP3A4 571/4885GAA 1910/4885

“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.