SCHEMBL21884558

SCHEMBL21884558

CC1(C)CCN/C(=N\C(=O)c2c(O)ccc(C#N)c2-c2ccccc2)N1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL23854894 1.00 MAOA (0.34) MAOAMAOBALDH1A1HPGDHIF1A
SCHEMBL21884792 0.86 MAOA (0.37) MAOAMAOBALDH1A1HPGD
SCHEMBL23854876 0.85 MAOA (0.36) MAOAMAOBALDH1A1HPGDHIF1A
SCHEMBL21884557 0.84 MAOA (0.36) MAOAMAOBALDH1A1HPGD
SCHEMBL23854874 0.83 MAOA (0.36) MAOAMAOB
SCHEMBL23854853 0.79 CCNT1 (0.36)
SCHEMBL21884560 0.79 CCNT1 (0.36)
SCHEMBL23854845 0.75 KDM4E (0.38) ALDH1A1HPGD
SCHEMBL23854838 0.74 AR (0.34) MAOAMAOB
SCHEMBL21884795 0.74 KDM4E (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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 (2 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 MAOA 2348/4885MAOB 2027/4885ALDH1A1 1823/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MAOA 4473/4885MAOB 4461/4885ALDH1A1 4382/4885

“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.