SCHEMBL1315537

SCHEMBL1315537

COc1ccc2c(n1)N(CC1CO1)C(=O)CC2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALOX5 P09917 2/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32
ADRA1A P35348 2/20 0.31
TP53 P04637 1/20 0.30
HBB P68871 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL1315539 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BALOX5ALDH1A1
SCHEMBL12113936 0.81 SMN1; SMN2 (0.33) ALDH1A1MAPTSMN1; SMN2MEN1PABPC1
SCHEMBL3332876 0.78 HTR2C (0.36) HTR2AHTR2CHTR2BALOX5SMN1; SMN2
SCHEMBL335894 0.78 HTR2C (0.36) HTR2AHTR2CHTR2BALOX5SMN1; SMN2
SCHEMBL335895 0.78 HTR2C (0.36) HTR2AHTR2CHTR2BALOX5SMN1; SMN2
SCHEMBL19834267 0.70 TP53 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL910104 0.69 GPR84 (0.35) HTR2AHTR2CHTR2BALDH1A1HTT
SCHEMBL15850929 0.63 CYP1A2 (0.53) ALDH1A1MEN1KMT2AMAPK1CASP1
SCHEMBL1312540 0.62 DDB1 (0.41) HTR2AHTR2CHTR2BALOX5KMT2A
SCHEMBL909971 0.59 KCNH2 (0.51) ALDH1A1MEN1KMT2AMAPK1CASP1

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-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED 2011-11-10 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-20110275661-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS NRDC, NGLY1, NISCH HTR2A 2784/4885HTR2C 1693/4885HTR2B 2178/4885

“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.