SCHEMBL8331851

SCHEMBL8331851

C[C@H](c1ccccc1)N1C[C@H]([C@@H](C)N)CC1=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.61
▸ MAPK1 P28482 3/20 0.49
▸ GRM5 P41594 1/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD11B1 P28845 2/20 0.38
▸ HSD17B2 P37059 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL8331554 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL8326349 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL8327727 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL17210748 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL524061 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL9428050 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL8331016 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL8327722 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL8328567 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1
SCHEMBL8327452 1.00 KMT2A (0.61) KMT2AMAPK1GRM5CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 — — US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 — — US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 — — US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 — — US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 — — US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 — — US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 — — US disclosed
EP-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 — — EP disclosed
EP-0909759-A2 Individual stereoisomers of 7-(3-aminoalkyl)-1-pyrrolidinyl)-quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1999-04-21 — — EP disclosed
US-5633264-A Individual stereoisomers of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-Quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1997-05-27 — — US disclosed
US-5563155-A QUINOLONE ANTIBIOTICS WITH INCREASED EFFICACY, REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY (US) 1996-10-08 — — US disclosed
US-5461165-A Individual stereoisomers of intermediates of 7-[3-(1-aminoalkyl)-1-pyrrolidinyl]-quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1995-10-24 — — US disclosed
US-5344940-A Bactericides WARNER-LAMBERT COMPANY (US) 1994-09-06 — — US disclosed
US-5258528-A Bactericides WARNER-LAMBERT COMPANY (US) 1993-11-02 — — US disclosed
EP-0559774-A1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-09-15 — — EP disclosed
WO-1992009596-A1 INDIVIDUAL STEREOISOMERS OF 7-[3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1992-06-11 — — 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885MAPK1 3154/4885GRM5 2082/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885MAPK1 3154/4885GRM5 2082/4885

“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.

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