SCHEMBL16601242

SCHEMBL16601242

Cc1ccc(CN2C(=O)CCC2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
USP2 O75604 1/20 0.49
GFER P55789 1/20 0.49
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL12470926 1.00 KMT2A (0.70) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL19975021 0.89 KMT2A (0.67) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL16601331 0.87 P2RX7 (0.54) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL19975206 0.87 P2RX7 (0.54) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL10408410 0.87 P2RX7 (0.54) KMT2AGAAALDH1A1MAPTHTT
SCHEMBL288651 0.86 P2RX7 (0.56) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL288652 0.86 P2RX7 (0.56) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL289574 0.86 P2RX7 (0.56) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL12471703 0.86 KMT2A (0.74) KMT2AGAAALDH1A1CYP3A4CYP2C9
SCHEMBL17319526 0.86 KMT2A (0.74) KMT2AGAAALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed
US-9687480-B2 Chiral 1-(4-methylphenylmethyl)-5-oxo-{N-[(3-t-butoxycarbonyl-aminomethyl)]-piperidin-1-yl)-pyrrolidine as inhibitors of collagen induced platelet activation and adhesion COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-27 US disclosed
EP-3052498-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS Council of Scientific & Industrial Research (IN) 2016-08-10 EP disclosed
US-20160214983-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-28 US disclosed
US-20160143896-A1 CHIRAL 1-(4-METHYLPHENYLMETHYL)-5-OXO--PYRROLIDINE-2-CARBOXAMIDES AS INHIBITORS OF COLLAGEN INDUCED PLATELET ACTIVATION AND ADHESION COUNCIL SCIENT IND RES (IN) 2016-05-26 US disclosed
WO-2015044951-A1 3,7-DIAZABICYCLO[3.3.1 ]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-02 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 (5 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885GAA 75/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885GAA 107/4885ALDH1A1 2673/4885
US-20160143896-A1 CHIRAL 1-(4-METHYLPHENYLMETHYL)-5-OXO--PYRROLIDINE-2-CARBOXAMIDES AS INHIBITORS OF COLLAGEN INDUCED PLATELET ACTIVATION AND ADHESION PLOD1, COL14A1, PLOD2 KMT2A 1887/4885GAA 3131/4885ALDH1A1 979/4885
US-20160214983-A1 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS TBXA2R, PDGFRA, TBXAS1 KMT2A 3077/4885GAA 4654/4885ALDH1A1 902/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885GAA 75/4885ALDH1A1 2271/4885

“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.