SCHEMBL2895193

SCHEMBL2895193

C[C@@H](Oc1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
SLC1A3 P43003 4/20 0.47
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
SLC1A2 P43004 3/20 0.42
SLC1A1 P43005 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SLC7A5 Q01650 1/20 0.41

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
SCHEMBL2895192 1.00 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL1716119 0.80 GAA (0.52) CYP1A2CYP2C9CYP2C19GAAPKM
Valine SCHEMBL9182200 0.79 SLC7A5 (0.50) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL27450538 0.78 GAA (0.55) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL7805109 0.78 GAA (0.50) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL7160865 0.77 KDM4E (0.41) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL10440741 0.77 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL17901061 0.77 MTNR1A (0.41) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL17905431 0.77 MTNR1A (0.41) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL27839110 0.77 MTNR1A (0.45) CYP1A2CYP2C9CYP2C19GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7655658-B2 Use of in the treatment of melanocortin receptor-associated disorders such as in treatment of anorexia, as a weight gain aid, for treatment of obesity PALATIN TECHNOLOGIES, INC. (US) 2010-02-02 US disclosed
WO-2009144432-A1 MC4-R AGONISTS FOR THE TREATMENT OF OBESITY PALATIN TECHNOLOGIES, INC. (US) 2009-12-03 WO disclosed
US-7550602-B1 Small molecule compositions for sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2009-06-23 US disclosed
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
EP-1622618-A4 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES INC (US) 2008-08-27 EP disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
EP-1622618-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS Palatin Technologies, Inc. (US) 2006-02-08 EP disclosed
WO-2004098602-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2004-11-18 WO disclosed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
US-5883075-A HYPOTENSIVE AGENT CYCLIC PEPTIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
US-5616684-A CYCLIC HEXAPEPTIDE CONTAINING ASPARTIC ACID AND DERIVATIVES, 2-THIENYLGLYCINE, LEUCINE, AND TRYPTOPHAN; ENDOTHELIN RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CYP1A2 117/4885CYP2C9 138/4885CYP2C19 292/4885

“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.