SCHEMBL1815662

SCHEMBL1815662

NCc1cccc(Cl)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.55
ALDH1A1 P00352 2/20 0.47
FEN1 P39748 1/20 0.46
DPP4 P27487 3/20 0.46
PBRM1 Q86U86 1/20 0.44
TSHR P16473 1/20 0.42
AKR1B1 P15121 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.41
SLC16A3 O15427 1/20 0.40
NPC1 O15118 1/20 0.40
NR4A2 P43354 1/20 0.40
RAB9A P51151 1/20 0.40
HMGB1 P09429 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
Hydrochloric Acid SCHEMBL6095750 0.98 PNMT (0.53) PNMTALDH1A1FEN1DPP4PBRM1
SCHEMBL27701506 0.85 PNMT (0.55) PNMTALDH1A1FEN1DPP4PBRM1
SCHEMBL27853749 0.84 ALDH1A1 (0.50) ALDH1A1FEN1DPP4PBRM1TSHR
SCHEMBL3006057 0.82 ALDH1A1 (0.48) ALDH1A1FEN1DPP4PBRM1TSHR
SCHEMBL4504893 0.82 ALDH1A1 (0.48) ALDH1A1FEN1DPP4PBRM1TSHR
SCHEMBL8477197 0.82 ALDH1A1 (0.48) ALDH1A1FEN1DPP4PBRM1TSHR
SCHEMBL2866815 0.81 ALDH1A1 (0.47) ALDH1A1FEN1DPP4PBRM1TSHR
SCHEMBL2336044 0.81 AKR1B1 (0.62) ALDH1A1FEN1AKR1B1FABP4
SCHEMBL1671686 0.81 DPP4 (0.48) PNMTALDH1A1FEN1DPP4TSHR
Hydrochloric Acid SCHEMBL1673165 0.79 DPP4 (0.47) PNMTALDH1A1FEN1DPP4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US claimed
US-7053122-B2 Therapeutic use of aryl amino acid derivatives PFIZER INC (US) 2006-05-30 US claimed
EP-1658059-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658058-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1658098-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL Pfizer Products Inc. (US) 2006-05-24 EP claimed
EP-1528919-A2 THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES Pfizer Limited (GB) 2005-05-11 EP claimed
WO-2005018622-A1 A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF OBESITY OR TO FACILITATE OR PROMOTE WEIGHT LOSS PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018621-A1 A PHARMACEUTICAL COMPOSITION FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
WO-2005018670-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA2DELTA LIGAND AND AN OPIOID RECEPTOR ANTAGONIST FOR THE PREVENTION AND TREATMENT OF ADDICTION IN A MAMMAL PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043407-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20050043406-A1 Pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss PFIZER INC 2005-02-24 US claimed
US-20050043345-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US claimed
US-20040138197-A1 Therapeutic use of aryl amino acid derivatives MAW GRAHAM NIGEL (GB) 2004-07-15 US claimed
WO-2004014357-A2 THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2004-02-19 WO claimed
US-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-06-02 US disclosed
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 US disclosed
US-7053122-B2 Therapeutic use of aryl amino acid derivatives PFIZER INC (US) 2006-05-30 US disclosed
US-20050043407-A1 Pharmaceutical composition for the prevention and treatment of addiction in a mammal PFIZER INC 2005-02-24 US disclosed
US-20040138197-A1 Therapeutic use of aryl amino acid derivatives MAW GRAHAM NIGEL (GB) 2004-07-15 US disclosed
WO-2004014357-A2 THERAPEUTIC USE OF ARYL AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2004-02-19 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 (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-20110130454-A1 PRODRUGS OF GAMMA-AMINO ACID, ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, OPRD1 PNMT 2499/4885ALDH1A1 1507/4885FEN1 3304/4885
US-20040138197-A1 Therapeutic use of aryl amino acid derivatives CNR1, HCRTR1, HTR6 PNMT 128/4885ALDH1A1 776/4885FEN1 1751/4885
US-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG PNMT 3457/4885ALDH1A1 1298/4885FEN1 3155/4885

“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.