SCHEMBL894742

SCHEMBL894742

CC(=O)C1(C)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR3 O14843 1/20 0.38
CYP1A2 P05177 1/20 0.32
OPRM1 P35372 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30

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
SCHEMBL16849199 0.85
SCHEMBL811021 0.80
SCHEMBL1292520 0.79 FFAR3 (0.65) KDM4EKMT2AFFAR3CYP1A2OPRM1
SCHEMBL3225347 0.77 KDM4E (0.39) KDM4EKMT2AFFAR3CYP1A2
Hydrochloric Acid SCHEMBL1282695 0.77 FFAR3 (0.62) KDM4EKMT2AFFAR3CYP1A2OPRM1
SCHEMBL2397325 0.77 KDM4E (0.54) KDM4EKMT2AFFAR3CYP1A2
Hydrochloric Acid SCHEMBL23411575 0.75 FFAR3 (0.59) KDM4EKMT2AFFAR3CYP1A2OPRM1
Hydrochloric Acid SCHEMBL2708163 0.75 KDM4E (0.52) KDM4EKMT2AFFAR3CYP1A2
SCHEMBL13747397 0.75 KDM4E (0.38) KDM4EKMT2AFFAR3CYP1A2
SCHEMBL6865583 0.75

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
WO-2022237676-A1 PREPARATION AND APPLICATION OF SHP2 PHOSPHATASE INHIBITOR 药雅科技(上海)有限公司 2022-11-17 WO disclosed
US-20210169970-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2021-06-10 US disclosed
US-20210169969-A1 COMPOSITIONS FOR TREATING KIDNEY DISEASE VAN DER PLOEG LEONARDUS H T (US) 2021-06-10 US disclosed
US-20210163536-A1 MELANOCORTIN RECEPTOR LIGANDS MODIFIED WITH HYDANTOIN IPSEN PHARMA SAS (FR) 2021-06-03 US disclosed
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 WO disclosed
US-10960046-B2 Method of treating melanocortin-4 receptor pathway-associated disorders RHYTHM PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-10954268-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers RHYTHM PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-20190111105-A1 Use of Melanocortins to Treat Insulin Sensitivity IPSEN PHARMA S.A.S. (FR) 2019-04-18 US disclosed
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20140329743-A1 Method of Treating Melanocortin-4 Receptor-Associated Disorders in Heterozygous Carriers RHYTHM PHARMACEUTICALS, INC. 2014-11-06 US disclosed
US-20140011730-A1 Melanocortin Receptor Ligands Modified with Hydantoin IPSEN PHARMA S.A.S. (FR) 2014-01-09 US disclosed
US-8563000-B2 Melanocortin receptor ligands modified with hydantoin IPSEN PHARMA S.A.S. (FR) 2013-10-22 US disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
EP-2560978-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2013-02-27 EP disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 WO disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2008147556-A2 MELANOCORTIN RECEPTOR LIGANDS MODIFIED WITH HYDANTOIN IPSEN PHARMA S.A.S. (FR) 2008-12-04 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 (10 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-20210169970-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS MC4R, MC5R, MC3R KDM4E 858/4885KMT2A 269/4885FFAR3 215/4885
US-20140011730-A1 Melanocortin Receptor Ligands Modified with Hydantoin MC4R, MC3R, MC1R KDM4E 2610/4885KMT2A 2039/4885FFAR3 139/4885
US-20210169969-A1 COMPOSITIONS FOR TREATING KIDNEY DISEASE MC4R, MC2R, MC5R KDM4E 1715/4885KMT2A 2126/4885FFAR3 155/4885
US-10960046-B2 Method of treating melanocortin-4 receptor pathway-associated disorders MC4R, MC5R, MC3R KDM4E 1687/4885KMT2A 1029/4885FFAR3 547/4885
US-20140329743-A1 Method of Treating Melanocortin-4 Receptor-Associated Disorders in Heterozygous Carriers MC4R, MC1R, MC2R KDM4E 3875/4885KMT2A 1451/4885FFAR3 1223/4885
US-20190111105-A1 Use of Melanocortins to Treat Insulin Sensitivity MC4R, MC1R, MC3R KDM4E 4248/4885KMT2A 4090/4885FFAR3 141/4885
US-20210163536-A1 MELANOCORTIN RECEPTOR LIGANDS MODIFIED WITH HYDANTOIN MC4R, MC3R, MC1R KDM4E 2610/4885KMT2A 2039/4885FFAR3 139/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 KDM4E 804/4885KMT2A 1554/4885FFAR3 1953/4885
US-10954268-B2 Method of treating melanocortin-4 receptor-associated disorders in heterozygous carriers MC4R, MC1R, MC2R KDM4E 3784/4885KMT2A 1291/4885FFAR3 1343/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT KDM4E 3204/4885KMT2A 977/4885FFAR3 331/4885

“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.