SCHEMBL3725106

SCHEMBL3725106

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.46
▸ GABRR1 P24046 2/20 0.43
▸ CPB2 Q96IY4 9/20 0.42
▸ GSR P00390 1/20 0.41
▸ RNPEP Q9H4A4 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ GGT1 P19440 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL7027613 1.00 FOLH1 (0.46) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL7027611 1.00 FOLH1 (0.46) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL1413149 0.94 FOLH1 (0.53) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL209237 0.94 FOLH1 (0.53) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL3727817 0.94 FOLH1 (0.53) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL8191952 0.88 GABRR1 (0.52) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL756912 0.88 GABRR1 (0.52) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL4783069 0.86 FOLH1 (0.45) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL4783065 0.86 FOLH1 (0.45) FOLH1GABRR1CPB2GSRRNPEP
SCHEMBL8254457 0.86 FOLH1 (0.45) FOLH1GABRR1CPB2GSRRNPEP

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 6 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

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 3041/4885GABRR1 458/4885CPB2 2511/4885
US-20130012431-A1 Method For Elevating Prolactin In Mammals PRLHR, OPRK1, OPRL1 FOLH1 259/4885GABRR1 435/4885CPB2 302/4885
US-20090312271-A1 Method For Elevating Prolactin in Mammals PRLHR, OPRK1, OPRL1 FOLH1 259/4885GABRR1 435/4885CPB2 302/4885
US-20140221277-A1 Method For Elevating Prolactin In Mammals PRLHR, OPRK1, OPRL1 FOLH1 259/4885GABRR1 435/4885CPB2 302/4885

“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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