SCHEMBL21783035

SCHEMBL21783035

CC1(C)CCCc2cc(C(=O)O)cnc2N1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.45
CRBN Q96SW2 3/20 0.41
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 1/20 0.36
RXRA P19793 9/20 0.36
RXRB P28702 6/20 0.36
RXRG P48443 6/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HCAR3 P49019 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
PPARG P37231 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
SCHEMBL21783039 0.92 NNMT (0.42) NNMTCRBNALDH1A1RXRARXRB
SCHEMBL21772931 0.82 NNMT (0.38) NNMTALDH1A1RXRARXRBRXRG
SCHEMBL21783073 0.79 CRBN (0.41) NNMTCRBNALDH1A1RXRARXRB
SCHEMBL21783047 0.78 NNMT (0.39) NNMTCRBNALDH1A1RXRARXRB
SCHEMBL21783075 0.78 VNN1 (0.38) NNMTCRBNALDH1A1RXRARXRB
SCHEMBL21782979 0.77 NNMT (0.40) NNMTCRBNALDH1A1KDM4EMAPT
SCHEMBL5306512 0.75 NNMT (0.75) NNMTCRBNALDH1A1KDM4EMAPT
SCHEMBL21782980 0.74 NNMT (0.68) NNMTCRBNALDH1A1RXRARXRB
SCHEMBL21201892 0.73 ALK (0.36) NNMTALDH1A1RXRARXRBRXRG
SCHEMBL21783076 0.73 MGAM (0.39) NNMTCRBNKDM4EMAPTHCAR3

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-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-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 2142/4885CRBN 1662/4885ALDH1A1 543/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH NNMT 2142/4885CRBN 1662/4885ALDH1A1 543/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH NNMT 2142/4885CRBN 1662/4885ALDH1A1 543/4885

“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.