SCHEMBL15042875

SCHEMBL15042875

CC(C)c1cc2c([nH]1)Cc1ccccc1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 16/20 0.43
DRD1 P21728 16/20 0.43
DRD2 P14416 14/20 0.43
DRD3 P35462 12/20 0.43
DRD4 P21917 9/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GMNN O75496 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA1D P25100 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL15042911 0.88 DRD1 (0.39) DRD5DRD1DRD2DRD3DRD4
SCHEMBL15045453 0.77 CYP2A6 (0.41) DRD5DRD1DRD2DRD3DRD4
SCHEMBL15042877 0.73 DRD2 (0.33) DRD5DRD1DRD2DRD3DRD4
SCHEMBL13963981 0.72 ALDH1A1 (0.42) KDM4EMEN1KMT2A
SCHEMBL21941390 0.71 NISCH (0.36) KDM4ECYP1A2CYP2D6PMP22PNMT
SCHEMBL15042918 0.71 HTR2A (0.34) KDM4EMEN1KMT2A
SCHEMBL15042925 0.71 MAOA (0.39) DRD5DRD1DRD2DRD3DRD4
SCHEMBL15042917 0.69 HTR2A (0.42) DRD2MEN1KMT2A
SCHEMBL15042824 0.69 DRD1 (0.38) DRD5DRD1DRD2DRD3DRD4
SCHEMBL20884009 0.68 PKN2 (0.45) KMT2APNMTCD44MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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 (2 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 DRD5 1596/4885DRD1 2549/4885DRD2 2849/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L DRD5 3910/4885DRD1 4500/4885DRD2 4568/4885

“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.