SCHEMBL3968077

SCHEMBL3968077

CCNC(=O)[C@@H]1CCCN1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
BCHE P06276 1/20 0.47
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
FKBP5 Q13451 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.37
NR1I2 O75469 1/20 0.37
DPP4 P27487 1/20 0.36
MAPT P10636 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
SCHEMBL13191364 1.00 CYP3A4 (0.49) CYP3A4CYP2D6BCHENPSR1KDM4E
SCHEMBL15892530 1.00 CYP3A4 (0.49) CYP3A4CYP2D6BCHENPSR1KDM4E
SCHEMBL25043792 0.89 BCHE (0.42) CYP3A4CYP2D6BCHEKDM4EALDH1A1
SCHEMBL26343602 0.86 NPSR1 (0.48) CYP3A4CYP2D6NPSR1KDM4EALDH1A1
SCHEMBL12733389 0.86 NPSR1 (0.48) CYP3A4CYP2D6NPSR1KDM4EALDH1A1
SCHEMBL16388208 0.84 CYP3A4 (0.48) CYP3A4CYP2D6NPSR1POLBTSHR
SCHEMBL24982944 0.84 CYP3A4 (0.48) CYP3A4CYP2D6BCHENPSR1ALDH1A1
SCHEMBL21696640 0.83 NPSR1 (0.59) CYP3A4CYP2D6NPSR1KDM4EALDH1A1
SCHEMBL12733387 0.83 NPSR1 (0.59) CYP3A4CYP2D6NPSR1KDM4EALDH1A1
SCHEMBL16656677 0.82 CYP3A4 (0.47) CYP3A4CYP2D6NPSR1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008007930-A9 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2009-04-02 WO claimed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
WO-2008007930-A9 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2009-04-02 WO disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-20080108632-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-05-08 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 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 (3 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-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 CYP3A4 4708/4885CYP2D6 3781/4885BCHE 876/4885
US-20080108632-A1 HCV PROTEASE INHIBITORS SERPINB1, HAVCR2, RNASE1 CYP3A4 147/4885CYP2D6 350/4885BCHE 708/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 CYP3A4 4804/4885CYP2D6 4012/4885BCHE 1424/4885

“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.