SCHEMBL15042871

SCHEMBL15042871

CC(C)c1cc2c([nH]1)C1(CC1)c1ccccc1CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HTR2C P28335 2/20 0.34
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM1A O60341 3/20 0.33
CASP6 P55212 1/20 0.33
AKR1B1 P15121 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOB P27338 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15042872 0.85 HTR2A (0.34) HTR2AKDM1ATSHRMAPK1SMN1; SMN2
SCHEMBL15042917 0.82 HTR2A (0.42) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL19485961 0.80 HTR2A (0.47) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL15042822 0.74 HTR2A (0.40) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL15042918 0.73 HTR2A (0.34) HTR2AKDM1ACASP6AKR1B1MAPK1
SCHEMBL19485960 0.69 TYMS (0.46) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL15042875 0.68 DRD5 (0.43) DRD2MAOB
SCHEMBL18373867 0.68 HTR2A (0.45) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL15042911 0.67 DRD1 (0.39) DRD2
SCHEMBL19485920 0.64 GABRA1 (0.31)

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 4 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-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 HTR2A 2505/4885HTR2C 1753/4885DRD2 2849/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L HTR2A 4215/4885HTR2C 3263/4885DRD2 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.