SCHEMBL16744231

SCHEMBL16744231

CC(C)c1cc2cnncc2cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GABRA1 P14867 4/20 0.32
GABRB1 P18505 3/20 0.32
GABRB2 P47870 2/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TRPA1 O75762 2/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
LMNA P02545 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL24253514 0.84 LMNA (0.44) ALDH1A1CA1CA2GABRA1GABRB1
SCHEMBL4546363 0.76 GABRA1 (0.35) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL19545353 0.75 GLP1R (0.32) ALDH1A1
SCHEMBL17947684 0.75
SCHEMBL12778210 0.74 PRKCZ (0.44)
SCHEMBL22045619 0.71 ALDH1A1 (0.53) ALDH1A1
SCHEMBL371433 0.71 CA1 (0.47) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL12702792 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2230006 0.70 UGT2B7 (0.42) ALDH1A1TRPA1LMNA
SCHEMBL24481271 0.69 ESR1 (0.36) CA1CA2GABRA1GABRB1GABRB2

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-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 ALDH1A1 4585/4885CA1 4845/4885CA2 4746/4885
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 ALDH1A1 4585/4885CA1 4845/4885CA2 4746/4885

“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.