SCHEMBL5880414

SCHEMBL5880414

O=C(OCc1ccccc1)[C@@H]1Cc2c([nH]c3ccccc23)CN1

nearest known ligand 0.98

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
HSD17B10 Q99714 2/20 0.73
MAPK1 P28482 1/20 0.73
ALDH1A1 P00352 2/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
TRPM8 Q7Z2W7 1/20 0.55
TACR1 P25103 1/20 0.46
CYP19A1 P11511 2/20 0.45

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
SCHEMBL29535576 1.00 KDM4E (0.73) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20524879 1.00 KDM4E (0.73) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2216260 0.85 KDM4E (0.98) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12765863 0.85 KDM4E (0.98) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19829391 0.85 KDM4E (0.98) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11881740 0.83 KDM4E (0.73) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19161142 0.81 KDM4E (1.00) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1491317 0.81 KDM4E (1.00) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1491505 0.81 KDM4E (1.00) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1491315 0.81 KDM4E (1.00) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080015-A1 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent GUANGZHOU BAI YUN SHAN PHARMACEUTICAL CO. LTD (CN) 2005-04-14 US claimed
CN-110551121-B Glutamine amido n-hexyl carboline carboxylic acid benzyl ester, preparation, activity and application thereof 首都医科大学 2020-11-27 CN disclosed
CN-110551121-A Glutamine amido n-hexyl carboline carboxylic acid benzyl ester, preparation, activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2019-12-10 CN disclosed
US-7138491-B2 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent GUANGZHOU BAI YUN SHAN PHARMACEUTICAL CO., LTD. (CN) 2006-11-21 US disclosed
US-7138491-B2 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent GUANGZHOU BAI YUN SHAN PHARMACEUTICAL CO., LTD. (CN) 2006-11-21 US disclosed
US-20050080015-A1 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent GUANGZHOU BAI YUN SHAN PHARMACEUTICAL CO. LTD (CN) 2005-04-14 US disclosed
US-20050080015-A1 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent GUANGZHOU BAI YUN SHAN PHARMACEUTICAL CO. LTD (CN) 2005-04-14 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-20050080015-A1 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent PEPD, PLAT, CTSL KDM4E 4372/4885CYP1A2 3042/4885CYP2D6 1931/4885

“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.