SCHEMBL3856967

SCHEMBL3856967

Cc1ccc(CN(C=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
ACACB O00763 11/20 0.43
ACACA Q13085 6/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PBK Q96KB5 1/20 0.39
MDM2 Q00987 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38

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
SCHEMBL3854241 0.83 ACACB (0.43) DRD2ACACBACACANPC1RAB9A
SCHEMBL13741883 0.76 KMT2A (0.56) DRD2ACACBACACA
SCHEMBL5123798 0.76 ACACB (0.51) DRD2ACACBACACACKS1BSKP1
SCHEMBL3853256 0.74 KDM1A (0.39)
Formic Acid SCHEMBL28082234 0.73 KMT2A (0.51) DRD2ACACBACACATDP1CKS1B
SCHEMBL4377073 0.73 KMT2A (0.56) DRD2ACACBACACATDP1CKS1B
SCHEMBL3816616 0.73 KMT2A (0.56) DRD2ACACBACACATDP1CKS1B
SCHEMBL190838 0.73 KMT2A (0.56) DRD2ACACBACACATDP1CKS1B
SCHEMBL3942686 0.73 KMT2A (0.56) DRD2ACACBACACATDP1CKS1B
SCHEMBL5126676 0.72 KMT2A (0.50) DRD2ACACBACACACKS1BSKP1

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-7579504-B2 ABCA1 elevating compounds GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20070203245-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-30 US disclosed
WO-2007067817-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-06-14 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-20070203245-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP DRD2 4395/4885ACACB 46/4885ACACA 43/4885

“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.