SCHEMBL19170233

SCHEMBL19170233

C[C@@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SLC6A4 P31645 2/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL16694758 0.82 ROCK2 (0.44) ROCK2SLC6A4KCNH2SLC6A2ALDH1A1
SCHEMBL28216838 0.81 ROCK2 (0.39) ROCK2
SCHEMBL16640270 0.80 ROCK2 (0.36) ROCK2
SCHEMBL2848628 0.77 ROCK2 (0.38) ROCK2
SCHEMBL8000143 0.76 ROCK2 (0.35) ROCK2MEN1KMT2AMAPTSLC6A4
SCHEMBL1315359 0.75 ROCK2 (0.35) ROCK2MEN1KMT2AMAPTKDM4E
SCHEMBL4000419 0.75 ROCK2 (0.43) ROCK2SLC6A4SLC6A2ALDH1A1
SCHEMBL16449936 0.74 SLC6A4 (0.32) MEN1KMT2ASLC6A4KDM4EALDH1A1
SCHEMBL19178217 0.74 SLC6A4 (0.32) MEN1KMT2ASLC6A4KDM4EALDH1A1
SCHEMBL20712553 0.74 SLC6A4 (0.32) MEN1KMT2ASLC6A4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834529-B2 Synthesis of benzothiazepines GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-12-05 US disclosed
US-20170210717-A1 SYNTHESIS OF BENZOTHIAZEPINES GlaxSmithKline Intellectual Propety (No.2) Limited (GB) 2017-07-27 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-20170210717-A1 SYNTHESIS OF BENZOTHIAZEPINES GABBR1, GABRE, GABBR2 ROCK2 3592/4885MEN1 2027/4885KMT2A 466/4885

“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.