SCHEMBL22016206

SCHEMBL22016206

Cc1cc(N2CCC2)c(C(C)C)c(=O)n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.34
LMNA P02545 2/20 0.34
DAO P14920 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 4/20 0.33
KDM5A P29375 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM5B Q9UGL1 3/20 0.32
GRM2 Q14416 1/20 0.32
ALDH1A3 P47895 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
NSD2 O96028 1/20 0.31
THRB P10828 1/20 0.31
S100A4 P26447 1/20 0.31

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
SCHEMBL21957177 0.77 MAPT (0.38) BRPF1LMNADAOMAPTPOLB
SCHEMBL22016884 0.74 KMT2A (0.38) BRPF1LMNADAOMAPTPOLB
SCHEMBL22016779 0.73 KDM4E (0.40) LMNAMAPTPOLBKMT2AALDH1A1
SCHEMBL24312170 0.72 GRM2 (0.40) BRPF1LMNAMAPTALDH1A1KDM5A
SCHEMBL20280294 0.72 CRHR1 (0.38) LMNAMAPTPOLBKMT2AALDH1A1
SCHEMBL21921254 0.70 ATAD2 (0.36) BRPF1LMNAPOLBKMT2AALDH1A1
SCHEMBL22016469 0.68 PDE3B (0.45) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL14803746 0.67 ITGB1 (0.36) LMNAALDH1A1KDM5BADORA3
SCHEMBL29868512 0.66 MAPT (0.38) LMNAMAPTPOLBKMT2AALDH1A1
SCHEMBL21957015 0.63 ALDH1A1 (0.44) LMNAMAPTKMT2AALDH1A1MEN1

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 BRPF1 3011/4885LMNA 2900/4885DAO 4307/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 BRPF1 3011/4885LMNA 2900/4885DAO 4307/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B BRPF1 2879/4885LMNA 2991/4885DAO 4523/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 BRPF1 3011/4885LMNA 2900/4885DAO 4307/4885

“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.