SCHEMBL16633459

SCHEMBL16633459

CCC(c1ccc(OCC2CC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
GPR88 Q9GZN0 3/20 0.44
PARP15 Q460N3 3/20 0.44
PARP10 Q53GL7 3/20 0.44
PARP2 Q9UGN5 2/20 0.44
ACACB O00763 8/20 0.41
ACACA Q13085 1/20 0.39

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
SCHEMBL16633048 0.80 CYP2C9 (0.41) FFAR1ACACB
SCHEMBL16633288 0.78 NPSR1 (0.45) PARP10ACACBACACA
SCHEMBL16634014 0.77 DAGLA (0.41)
SCHEMBL16633588 0.76 ESR1 (0.43)
SCHEMBL2574635 0.74 CYP1A2 (0.38)
SCHEMBL16563380 0.74 GPR88 (0.59) FFAR1GPR88PARP15PARP10PARP2
SCHEMBL2502217 0.73 FFAR1 (0.52) FFAR1GPR88
SCHEMBL21910441 0.71 PARP15 (0.49) FFAR1GPR88PARP15PARP10PARP2
SCHEMBL6349734 0.71 TAS1R3 (0.43)
SCHEMBL17603763 0.70 BMP1 (0.43) GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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 (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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A FFAR1 2499/4885GPR88 2229/4885PARP15 2502/4885

“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.