SCHEMBL3727817

SCHEMBL3727817

CC(C)N[C@H](CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.53
▸ GSR P00390 1/20 0.48
▸ RNPEP Q9H4A4 1/20 0.47
▸ CPB2 Q96IY4 12/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ GABRR1 P24046 2/20 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
SCHEMBL209237 1.00 FOLH1 (0.53) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL1413149 1.00 FOLH1 (0.53) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL3725106 0.94 FOLH1 (0.46) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL7027611 0.94 FOLH1 (0.46) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL7027613 0.94 FOLH1 (0.46) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL24764859 0.88 FOLH1 (0.54) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL4951252 0.87 GSR (0.52) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL787393 0.87 FOLH1 (0.51) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL1116199 0.87 FOLH1 (0.51) FOLH1GSRRNPEPCPB2SLC6A5
SCHEMBL5419504 0.87 FOLH1 (0.51) FOLH1GSRRNPEPCPB2SLC6A5

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
US-20140221277-A1 Method For Elevating Prolactin In Mammals CARA THERAPEUTICS, INC. (US) 2014-08-07 — — US disclosed
US-20130012431-A1 Method For Elevating Prolactin In Mammals CARA THERAPEUTICS, INC. (US) 2013-01-10 — — US disclosed
US-8217000-B2 Method for elevating prolactin in mammals CARA THERAPEUTICS, INC. (US) 2012-07-10 — — US disclosed
US-20100029575-A1 N-Oxides of Kappa Receptor Peptides CARA THERAPEUTICS, INC. 2010-02-04 — — US disclosed
US-20090312271-A1 Method For Elevating Prolactin in Mammals CARA THERAPEUTICS INC. (US) 2009-12-17 — — US disclosed
CN-101454017-A Method for elevating prolactin in mammals CARA THERAPEUTICS INC (US) 2009-06-10 — — CN disclosed
US-7361633-B2 Screening method and anti-tumor drug candidate obtained therefrom ARDANA BIOSCIENCE LIMITED (GB) 2008-04-22 — — US disclosed
US-20060057649-A1 Screening method and anti-tumor drug candidate obtained therefrom MEDICAL RESEARCH COUNCIL (GB) 2006-03-16 — — US disclosed
EP-1512016-B1 SCREENING METHOD AND ANTI-TUMOR DRUG CANDIDATE OBTAINED THEREFROM ARDANA BIOSCIENCE LTD (GB) 2006-01-18 — — EP disclosed
EP-1512016-A1 SCREENING METHOD AND ANTI-TUMOR DRUG CANDIDATE OBTAINED THEREFROM Ardana Bioscience Limited (GB) 2005-03-09 — — EP disclosed
WO-2004010146-A1 SCREENING METHOD AND ANTI-TUMOR DRUG CANDIDATE OBTAINED THEREFROM ARDANA BIOSCIENCE LIMITED (GB) 2004-01-29 — — WO disclosed
EP-0668874-A1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-30 — — EP disclosed
WO-1992020711-A2 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-26 — — 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 (4 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-20100029575-A1 N-Oxides of Kappa Receptor Peptides OPRD1, OPRK1, OPRM1 FOLH1 3041/4885GSR 2722/4885RNPEP 237/4885
US-20130012431-A1 Method For Elevating Prolactin In Mammals PRLHR, OPRK1, OPRL1 FOLH1 259/4885GSR 2409/4885RNPEP 70/4885
US-20090312271-A1 Method For Elevating Prolactin in Mammals PRLHR, OPRK1, OPRL1 FOLH1 259/4885GSR 2409/4885RNPEP 70/4885
US-20140221277-A1 Method For Elevating Prolactin In Mammals PRLHR, OPRK1, OPRL1 FOLH1 259/4885GSR 2409/4885RNPEP 70/4885

“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.

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