SCHEMBL18775267

SCHEMBL18775267

Cc1cc(C(=O)O)ccc1CN1CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
GRIN2B Q13224 2/20 0.49
HDAC6 Q9UBN7 1/20 0.47
KIT P10721 3/20 0.46
EPHX2 P34913 1/20 0.46
BRAF P15056 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADORA1 P30542 1/20 0.44
MAPT P10636 1/20 0.44
FAAH O00519 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL4273434 0.99 ALDH1A1 (0.54) ALDH1A1GAAGRIN2BHDAC6KIT
SCHEMBL16380765 0.88 ALDH1A1 (0.55) ALDH1A1GAAGRIN2BEPHX2L3MBTL1
SCHEMBL7348167 0.88 GRIN2B (0.54) ALDH1A1GAAGRIN2BEPHX2L3MBTL1
SCHEMBL4702839 0.87 ALDH1A1 (0.49) ALDH1A1GAAGRIN2BHDAC6KIT
Hydrochloric Acid SCHEMBL6172170 0.87 GRIN2B (0.53) ALDH1A1GAAGRIN2BEPHX2L3MBTL1
Hydrochloric Acid SCHEMBL4277098 0.86 HDAC6 (0.48) ALDH1A1GAAGRIN2BHDAC6KIT
SCHEMBL3565908 0.85 HDAC6 (0.47) ALDH1A1GAAHDAC6KITBRAF
SCHEMBL4267580 0.85 MAPT (0.57) ALDH1A1GAAHDAC6KITMAPT
SCHEMBL13529185 0.84 DDR1 (0.53) ALDH1A1GAAHDAC6ADORA1KDM4E
SCHEMBL4893579 0.84 ALDH1A1 (0.49) ALDH1A1HDAC6KITEPHX2ADORA1

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-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-12-05 US disclosed
US-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-12-07 US disclosed
US-9765072-B2 1H-1,8-naphthyridin-2ones as anti proliferative compounds NATCO PHARMA LIMITED (US) 2017-09-19 US disclosed
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2017-04-27 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-20170349588-A1 1H-1,8-NAPHTHYRIDIN-2-ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, MCL1 ALDH1A1 472/4885GAA 889/4885GRIN2B 3841/4885
US-11834432-B2 Substituted amino six-membered nitric heterocyclic ring compound and preparation and use thereof NOS2, NOS1, NOS3 ALDH1A1 1897/4885GAA 1541/4885GRIN2B 1181/4885
US-20170114057-A1 1H-1,8-NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS ABL1, MKI67, ABL2 ALDH1A1 390/4885GAA 857/4885GRIN2B 3990/4885

“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.