SCHEMBL2320201

SCHEMBL2320201

CNC1CCCc2c1[nH]c1ccccc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.70
BRD3 Q15059 2/20 0.61
SIRT1 Q96EB6 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
CYP2D6 P10635 2/20 0.51
KCNH2 Q12809 1/20 0.49
CDC42 P60953 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL13748402 0.95 RB1 (0.68) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL13624632 0.84 RB1 (0.65) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL13780949 0.83 RB1 (0.60) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL4144167 0.82 CYP2D6 (0.73) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL25293118 0.82 RB1 (0.62) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL4196304 0.82 RB1 (0.62) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL25248626 0.82 RB1 (0.62) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL4196380 0.81 RB1 (1.00) RB1BRD3SIRT1SIRT2CYP2D6
Hydrochloric Acid SCHEMBL4160613 0.81 RB1 (0.63) RB1BRD3SIRT1SIRT2CYP2D6
SCHEMBL16433477 0.80 ALOX15 (0.71) BRD3SIRT1SIRT2GAACASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070051-B1 PROCESS FOR THE PRODUCTION OF R-(+)-6- CARBOXAMIDO- 3-N- METHYLAMINO- 1,2,3,4- TETRAHYDROCARBAZOLE VERNALIS DEV LTD (GB) 2015-06-03 EP disclosed
WO-2011095803-A1 HPLC METHOD FOR ANALYZING FROVATRIPTAN GENERICS [UK] LIMITED (GB) 2011-08-11 WO disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
EP-1070051-A1 PROCESS FOR THE PRODUCTION OF R-(+)-6- CARBOXAMIDO- 3-N- METHYLAMINO- 1,2,3,4- TETRAHYDROCARBAZOLE Vernalis Limited (GB) 2001-01-24 EP disclosed
WO-1999054302-A1 PROCESS FOR THE PRODUCTION OF R-(+)-6- CARBOXAMIDO- 3-N- METHYLAMINO- 1,2,3,4- TETRAHYDROCARBAZOLE VERNALIS LIMITED (GB) 1999-10-28 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 (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-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 RB1 4460/4885BRD3 4059/4885SIRT1 418/4885

“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.