SCHEMBL20134457

SCHEMBL20134457

CCCCCCCCNC(=O)CC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.62
NAAA Q02083 1/20 0.58
EPHX1 P07099 8/20 0.57
FAAH O00519 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL23567476 1.00 CASP2 (0.62) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL20121986 1.00 CASP2 (0.62) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL20417361 1.00 CASP2 (0.62) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL20121987 0.98 CASP2 (0.59) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL4308618 0.92 CASP2 (0.50) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL23518488 0.92 MEN1 (0.52) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL26504642 0.85 MEN1 (0.47) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL20417364 0.85 CASP2 (0.58) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL24193577 0.84 MEN1 (0.45) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL25475907 0.84 MEN1 (0.45) CASP2NAAAEPHX1FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617676-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-14 US disclosed
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-08-13 US disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 US disclosed
US-20180125826-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (JP) 2018-05-10 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 (4 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-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C CASP2 3793/4885NAAA 2247/4885EPHX1 2566/4885
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C CASP2 3793/4885NAAA 2247/4885EPHX1 2566/4885
US-10617676-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C CASP2 4238/4885NAAA 2556/4885EPHX1 1581/4885
US-20180125826-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C CASP2 4238/4885NAAA 2556/4885EPHX1 1581/4885

“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.