SCHEMBL7641200

SCHEMBL7641200

CC(C)(C)OC(=O)N1CCc2cccc(C#N)c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NR1H2 P55055 1/20 0.51
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
UCHL1 P09936 1/20 0.43
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
NAMPT P43490 1/20 0.42
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL29574543 0.93 MAPK1 (0.46) ESR2NR1H2MAPK1ALDH1A1DDB1
SCHEMBL2123720 0.91 ESR2 (0.47) ESR2NR1H2MAPK1ALDH1A1TAS1R3
SCHEMBL2121713 0.90 ESR2 (0.52) ESR2NR1H2MAPK1ALDH1A1ABHD6
SCHEMBL31420680 0.88 DDB1 (0.52) ESR2NR1H2MAPK1ALDH1A1ABHD6
SCHEMBL3055188 0.88 DDB1 (0.52) ESR2NR1H2MAPK1ALDH1A1ABHD6
SCHEMBL24265580 0.85 MAPK1 (0.49) ESR2NR1H2MAPK1ALDH1A1TAS1R3
SCHEMBL19608875 0.84 ESR2 (0.56) ESR2NR1H2MAPK1ALDH1A1ABHD6
SCHEMBL30199091 0.83 ESR2 (0.59) ESR2NR1H2MAPK1ABHD6DDB1
SCHEMBL3693657 0.83 ESR2 (0.59) ESR2NR1H2MAPK1ABHD6DDB1
SCHEMBL3428117 0.82 GPR119 (0.43) ESR2NR1H2MAPK1ALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256509-A1 HISTONE DEMETHYLASE INHIBITORS CHRYSALIS INC (US) 2019-08-22 US disclosed
WO-2017214413-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Chrysalis, Inc. (US) 2017-12-14 WO disclosed
US-6465485-B1 SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-15 US disclosed
EP-0983244-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
WO-1998050364-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO 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 (1 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-20190256509-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6B, KDM2A ESR2 507/4885NR1H2 665/4885MAPK1 3399/4885

“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.