SCHEMBL21119530

SCHEMBL21119530

CCCCCCC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 3/20 0.60
▸ TAS1R3 Q7RTX0 6/20 0.58
▸ TAS1R1 Q7RTX1 6/20 0.58
▸ HDAC3 O15379 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ ERAP2 Q6P179 2/20 0.52
▸ LNPEP Q9UIQ6 2/20 0.52
▸ ERAP1 Q9NZ08 2/20 0.51

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
SCHEMBL12983696 0.82 PIN1 (0.55) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL12983698 0.82 PIN1 (0.55) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL11918871 0.80 TAS1R3 (0.71) TAS1R3TAS1R1
SCHEMBL4211750 0.80 TAS1R3 (0.71) TAS1R3TAS1R1
SCHEMBL4211753 0.80 TAS1R3 (0.71) TAS1R3TAS1R1
SCHEMBL5194508 0.80 LNPEP (0.48) CCKBRTAS1R3TAS1R1ERAP2LNPEP
SCHEMBL25658905 0.80 TAS1R3 (0.57) TAS1R3TAS1R1HDAC1ERAP2LNPEP
SCHEMBL25658941 0.79 TAS1R3 (0.58) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL8235468 0.78 CA1 (0.56) TAS1R3TAS1R1ERAP2LNPEPERAP1
SCHEMBL25658900 0.77 TAS1R3 (0.54) TAS1R3TAS1R1ERAP2LNPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202810-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES Orion Ophthalmology LLC (US) 2019-07-04 — — 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-20190202810-A1 CARBOCYCLIC PROLINAMIDE DERIVATIVES HTRA1, ADCYAP1R1, HTRA2 CCKBR 893/4885TAS1R3 1046/4885TAS1R1 748/4885

“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.

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