SCHEMBL6843532

SCHEMBL6843532

CCCCC1(CCCC)CSc2ccc(F)cc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.36
MMP13 P45452 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HTR7 P34969 5/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR6 P50406 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.31
HTR2B P41595 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL8029787 0.80 CMA1 (0.32) MAPT
SCHEMBL21585923 0.79 KMT2A (0.32) KMT2A
SCHEMBL8028186 0.76 KDM4E (0.36) MMP13MAPTALDH1A1HTR7KMT2A
SCHEMBL5227372 0.76 MAOB (0.52) GHSRMMP13MAPTALDH1A1HTT
SCHEMBL21586026 0.75 SLC10A2 (0.31) KMT2A
SCHEMBL22286608 0.74 LMNA (0.35) MAPTALDH1A1KMT2A
SCHEMBL8024372 0.72 MAOB (0.50) GHSRMMP13MAPTALDH1A1HTT
SCHEMBL21585955 0.70 LMNA (0.34) MAPTALDH1A1KMT2A
SCHEMBL8031445 0.70 PTPN1 (0.38) ALDH1A1HTR2AKMT2A
SCHEMBL6843767 0.69 ELANE (0.40) MAPTHTR7KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake PHARMACIA CORPORATION 2004-04-22 US disclosed
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake G.D. SEARLE LLC 2002-12-05 US disclosed
WO-2002008211-A2 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS G.D. SEARLE, LLC. (US) 2002-01-31 WO 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 (2 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-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake SLC10A1, ABCB11, SLC10A2 GHSR 784/4885MMP13 3040/4885CYP1A2 429/4885
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake SLC10A1, SLC10A2, ABCB11 GHSR 529/4885MMP13 2812/4885CYP1A2 329/4885

“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.