SCHEMBL5458302

SCHEMBL5458302

COc1ccc(S(=O)(=O)N2CCN(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
GPBAR1 Q8TDU6 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.51
USP2 O75604 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51
CHRM4 P08173 1/20 0.51
HTT P42858 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL5454971 0.88 KDM4E (0.67) PKMSMN1; SMN2CYP2C19HRH3TSHR
SCHEMBL5451297 0.85 HRH3 (0.56) HRH3TSHRLMNAMAPK1KDM4E
SCHEMBL5462288 0.85 HRH3 (0.59) HRH3MAPK1HTTKDM4EGAA
SCHEMBL5472280 0.85 HRH3 (0.59) PKMSMN1; SMN2HRH3MAPK1HTT
SCHEMBL5457451 0.85 MAPT (0.61) SMN1; SMN2CYP3A4CYP2C19NPSR1HRH3
SCHEMBL5458190 0.84 HRH3 (0.55) HRH3HSD17B10MAPK1KDM4EALDH1A1
SCHEMBL5460678 0.83 MCOLN3 (0.54) HRH3TSHRLMNAUSP2HSD17B10
SCHEMBL5458772 0.83 ALDH1A1 (0.65) HRH3MAPK1KDM4EGAAALDH1A1
SCHEMBL5458846 0.82 HRH3 (0.74) HRH3CHRM4KDM4EGAAALDH1A1
SCHEMBL5464285 0.82 HRH3 (0.56) HRH3LMNAMAPK1KDM4EGAA

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 PKM 1774/4885GPBAR1 1094/4885SMN1; SMN2 674/4885

“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.