SCHEMBL21782980

SCHEMBL21782980

O=C(O)c1cnc2c(c1)CCCCN2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.68
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.41
CRBN Q96SW2 2/20 0.39
GRM5 P41594 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
MGAM O43451 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXRB P28702 2/20 0.34
NPC1 O15118 1/20 0.34
RXRA P19793 1/20 0.34
RXRG P48443 1/20 0.34
RAB9A P51151 1/20 0.34
P4HA1 P13674 2/20 0.33
AMPD3 Q01432 1/20 0.33

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
SCHEMBL5306512 0.95 NNMT (0.75) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL1680658 0.89 NNMT (0.73) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL21772832 0.82 NNMT (0.62) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL25787747 0.81 NNMT (1.00) NNMTKDM4EMAPTCRBNGRM5
SCHEMBL22226404 0.80 NNMT (0.59) NNMTKDM4EALDH1A1CRBNGRM5
SCHEMBL22226925 0.79 NNMT (0.58) NNMTKDM4EMAPTALDH1A1HPGD
SCHEMBL22225983 0.79 NNMT (0.50) NNMTKDM4EMAPTALDH1A1CRBN
SCHEMBL20722588 0.78 NNMT (0.68) NNMTKDM4EMAPTALDH1A1PIK3C3
SCHEMBL22227201 0.78 NNMT (0.46) NNMTKDM4EMAPTALDH1A1GRM5
SCHEMBL30968499 0.78 NNMT (0.68) NNMTKDM4EMAPTALDH1A1PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-04 US disclosed
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-15 US disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed
WO-2020043658-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 WO disclosed
US-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 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 (3 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-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH NNMT 2142/4885KDM4E 3614/4885MAPT 3447/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH NNMT 2142/4885KDM4E 3614/4885MAPT 3447/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH NNMT 2142/4885KDM4E 3614/4885MAPT 3447/4885

“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.