SCHEMBL19203475

SCHEMBL19203475

CC(CCC(C)c1cccc2ccccc12)c1cc[nH]c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
CASR P41180 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37

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
SCHEMBL28223834 0.75 CASR (0.43) ADRA2AADRA2BADRA2CCASRALDH1A1
SCHEMBL7705711 0.74 ALDH1A1 (0.48) SLC6A4CASRALDH1A1CYP1A2CYP2C9
SCHEMBL5610407 0.73 ALDH1A1 (0.47) SLC6A4ADRA2AADRA2BADRA2CCASR
SCHEMBL6014505 0.73 ALDH1A1 (0.47) SLC6A4CASRALDH1A1CYP1A2CYP2C9
SCHEMBL820090 0.73 ALDH1A1 (0.47) SLC6A4CASRALDH1A1CYP1A2CYP2C9
SCHEMBL5610397 0.73 ALDH1A1 (0.47) SLC6A4ADRA2AADRA2BADRA2CCASR
SCHEMBL536861 0.73 ALDH1A1 (0.47) SLC6A4ADRA2AADRA2BADRA2CCASR
SCHEMBL820089 0.73 ALDH1A1 (0.47) SLC6A4CASRALDH1A1CYP1A2CYP2C9
SCHEMBL22897010 0.71 SLC6A4 (0.40) SLC6A4CASR
SCHEMBL2125548 0.71 ALDH1A1 (0.46) SLC6A4CASRALDH1A1CYP1A2CYP2C9

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-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-01-01 US disclosed
US-9999616-B2 2018-06-19 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 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-10166215-B2 Substituted bicyclic compounds as bromodomain inhibitors BRD4, BRD3, BRD2 SLC6A4 4729/4885ADRA2A 3550/4885ADRA2B 2921/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 SLC6A4 4730/4885ADRA2A 3317/4885ADRA2B 2572/4885

“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.