SCHEMBL15042872

SCHEMBL15042872

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
KDM1A O60341 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
BCHE P06276 1/20 0.32
CHRM5 P08912 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL15042871 0.85 HTR2A (0.44) HTR2AKDM1ASMN1; SMN2MAPK1TSHR
SCHEMBL15042918 0.82 HTR2A (0.34) HTR2AKDM1AMEN1KMT2ASMN1; SMN2
SCHEMBL19485964 0.80 HTR2A (0.37) HTR2AKDM1AMEN1KMT2ASMN1; SMN2
SCHEMBL15042823 0.72 HSD17B10 (0.37) HTR2AKDM1AMEN1KMT2AKDM4E
SCHEMBL19565413 0.72 KDM1A (0.47) HTR2AKDM1AMEN1KMT2ASMN1; SMN2
SCHEMBL15042917 0.71 HTR2A (0.42) HTR2AKDM1AMEN1KMT2ATSHR
SCHEMBL15042875 0.68 DRD5 (0.43) MEN1KMT2AKDM4ECYP3A4CYP2D6
SCHEMBL19485911 0.67 HTR2A (0.37) HTR2AKDM1AMEN1KMT2ASMN1; SMN2
SCHEMBL15042911 0.67 DRD1 (0.39) MEN1KMT2AKDM4ECYP3A4CYP2D6
SCHEMBL19485963 0.67 TYMS (0.47) HTR2AKDM1AMEN1KMT2ACYP3A4

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 HTR2A 2505/4885KDM1A 2392/4885MEN1 2525/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L HTR2A 4215/4885KDM1A 3420/4885MEN1 2324/4885

“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.