SCHEMBL2609178

SCHEMBL2609178

CC(C)Cn1ccc(=O)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
KCNA3 P22001 7/20 0.46
DPP4 P27487 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN2A Q99250 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KMO O15229 1/20 0.36
POLB P06746 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL2608958 0.84 HTR2A (0.48) HTR2AHTR2CMAPTPDE4APDE4B
SCHEMBL10375756 0.82 KCNA3 (0.44) KCNA3MAPTALDH1A1SCN2AKMO
SCHEMBL2608966 0.81 HTR2C (0.49) HTR2AHTR2CDPP4MAPTMEN1
SCHEMBL18926938 0.79 SMN1; SMN2 (0.47) HTR2AHTR2CALDH1A1
SCHEMBL24144837 0.79 HTR2C (0.58) HTR2AHTR2CMEN1ALDH1A1KMT2A
SCHEMBL28812790 0.76 NTRK1 (0.38) KCNA3MAPTALDH1A1NTRK1
SCHEMBL4033420 0.76 HTR2C (0.77) HTR2AHTR2CMEN1ALDH1A1KMT2A
SCHEMBL2644030 0.74 CPT1A (0.44) KCNA3MAPTPDE4APDE4BPDE4C
SCHEMBL6050596 0.73 MAT2A (0.44) ALDH1A1KMONTRK1
SCHEMBL24143218 0.73 ICMT (0.42) HTR2AHTR2CKCNA3DPP4MEN1

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 4182/4885KCNA3 4061/4885

“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.