SCHEMBL2608958

SCHEMBL2608958

Cc1ccc2c(=O)ccn(CC(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.48
HTR2C P28335 5/20 0.48
NR1D1 P20393 2/20 0.45
ICMT O60725 2/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
NR1I2 O75469 1/20 0.35
EGFR P00533 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS2 P35354 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL2609178 0.84 HTR2A (0.47) HTR2AHTR2CPDE4DPDE4APDE4B
SCHEMBL7291102 0.82 PGR (0.41) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL2608966 0.81 HTR2C (0.49) HTR2AHTR2CNR1D1NR3C1PGR
SCHEMBL18926938 0.79 SMN1; SMN2 (0.47) HTR2AHTR2CNR1D1NR3C1PGR
SCHEMBL25154150 0.77 HTR2C (0.76) HTR2AHTR2C
SCHEMBL18280717 0.76 HTR2C (0.47) HTR2AHTR2CNR1D1P2RX3P2RX2
SCHEMBL13283050 0.73 HTR2C (0.76) HTR2AHTR2CSLC2A1MAPT
SCHEMBL17563245 0.73 ACACB (0.43) HTR2AHTR2CMAPT
SCHEMBL5022143 0.73 KDM4E (0.41) PGRTP53MAPTDAO
SCHEMBL26674354 0.71 NR1D1 (0.47) HTR2AHTR2CNR1D1ICMTPDE4D

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-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E HTR2A 4221/4885HTR2C 4182/4885NR1D1 945/4885

“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.