SCHEMBL6247284

SCHEMBL6247284

CCCCNC(=O)[C@H]1Cc2cc(OC)ccc2N1C(=O)[C@H](C)N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
CYP2D6 P10635 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6243667 1.00 ALDH1A1 (0.59) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
Oxalic Acid SCHEMBL7043599 0.97 KDM4E (0.56) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
Oxalic Acid SCHEMBL7043586 0.97 KDM4E (0.56) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL6242188 0.92 ALDH1A1 (0.57) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL5569424 0.91 ALDH1A1 (0.72) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
Oxalic Acid SCHEMBL7041574 0.90 ALDH1A1 (0.55) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL6245975 0.85 ALDH1A1 (0.41) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7039233 0.82 KDM4E (0.50) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7043163 0.82 KDM4E (0.50) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL7037763 0.80 KDM4E (0.48) ALDH1A1CYP2D6KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828851-B1 TRIPEPTIDYLPEPTIDASE INHIBITORS INST NAT SANTE ETDE LA RECH ME (FR) 2005-07-20 EP claimed
US-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US claimed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 US claimed
US-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 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 (1 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-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 ALDH1A1 630/4885CYP2D6 455/4885KDM4E 3475/4885

“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.