SCHEMBL2828496

SCHEMBL2828496

Cc1nn(C)c(C)c1-c1cccc(CO)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.67
HTR1A P08908 1/20 0.67
MTOR P42345 1/20 0.46
BRD4 O60885 1/20 0.46
FFAR1 O14842 1/20 0.46
CREBBP Q92793 1/20 0.46
PRKCI P41743 1/20 0.45
NMT1 P30419 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
TGFBR1 P36897 1/20 0.43
MAP2K4 P45985 1/20 0.41
FYN P06241 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MAPT P10636 1/20 0.41
CARM1 Q86X55 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL3338503 0.82 HTR7 (0.71) HTR7HTR1ABRD4FFAR1CREBBP
Hydrochloric Acid SCHEMBL3338055 0.81 HTR7 (0.70) HTR7HTR1ABRD4FFAR1CREBBP
SCHEMBL3337502 0.80 HTR7 (1.00) HTR7HTR1ABRD4FFAR1CREBBP
SCHEMBL29388378 0.80 HTR7 (1.00) HTR7HTR1ABRD4FFAR1CREBBP
SCHEMBL3336727 0.80 HTR7 (0.68) HTR7HTR1ABRD4FFAR1CREBBP
SCHEMBL3336635 0.80 HTR7 (0.68) HTR7HTR1ABRD4FFAR1CREBBP
Hydrochloric Acid SCHEMBL3340322 0.79 HTR7 (0.97) HTR7HTR1ABRD4FFAR1CREBBP
SCHEMBL3340710 0.78 HTR7 (0.65) HTR7HTR1ABRD4FFAR1CREBBP
SCHEMBL3341900 0.78 HTR7 (0.65) HTR7HTR1ABRD4FFAR1NMT1
SCHEMBL3338906 0.78 HTR7 (0.77) HTR7HTR1ABRD4FFAR1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 HTR7 996/4885HTR1A 735/4885MTOR 1945/4885

“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.