SCHEMBL17563249

SCHEMBL17563249

CCCn1ccc(C)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
ACACB O00763 1/20 0.39
GRM2 Q14416 4/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL1346009 0.89 TYR (0.44) TYRACACBGRM2DRD2DRD3
SCHEMBL12640089 0.83 PIK3CD (0.41) ACACBDRD2DRD3KDM4EALDH1A1
SCHEMBL21241923 0.82 DRD2 (0.37) DRD2DRD3KDM4EALDH1A1APOBEC3A
SCHEMBL18914245 0.82 ALDH1A1 (0.39) DRD2DRD3KDM4EALDH1A1APOBEC3A
SCHEMBL18914238 0.79 HTR2C (0.49) DRD2DRD3
SCHEMBL22642931 0.79 DRD2 (0.36) DRD2DRD3KDM4EALDH1A1APOBEC3A
SCHEMBL12180554 0.79 ACACB (0.43) ACACBDRD2DRD3ALDH1A1
SCHEMBL9609776 0.79 ADRA2A (0.42) GRM2ALDH1A1POLB
SCHEMBL16762467 0.78 SMN1; SMN2 (0.43) TYRACACBGRM2KDM4EALDH1A1
SCHEMBL18186968 0.78 ACACB (0.39) TYRACACBGRM2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132700-A1 METHODS OF USING INHIBITORS OF SREBP IN COMBINATION WITH NICLOSAMIDE AND ANALOGS THEREOF Fgh Biotech Inc. (US) 2020-06-25 WO disclosed
US-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2019-02-05 US disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 US disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 US disclosed
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY (US) 2016-03-10 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 (3 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-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors BMP1, BMP4, BMP2 TYR 4418/4885ACACB 3684/4885GRM2 4391/4885
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 TYR 4418/4885ACACB 3684/4885GRM2 4391/4885
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 TYR 4418/4885ACACB 3684/4885GRM2 4391/4885

“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.