SCHEMBL5111147

SCHEMBL5111147

Cc1cc(Br)ccc1C(=O)N1CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.47
GPR6 P46095 1/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GAA P10253 2/20 0.37
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL256310 0.83 HPGD (0.59) HPGDALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL4243617 0.83 HTT (0.58) HPGDALDH1A1NPSR1HTTTSHR
SCHEMBL2104229 0.82 HPGD (0.59) HPGDALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL19086436 0.81 HTT (0.47) GPR6HPGDALDH1A1NPSR1HTT
SCHEMBL22858720 0.81 HCRTR1 (0.44) GPR6HPGDALDH1A1FLT1FLT4
SCHEMBL1447243 0.81 POLB (0.57) GPR6HPGDALDH1A1NPSR1HTT
SCHEMBL5097101 0.80 PLA2G7 (0.50) PLA2G7HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL970089 0.80 HPGD (0.55) HPGDHTTGAAMYC
SCHEMBL19869975 0.80 RXFP1 (0.48) GPR6HPGDKDRHTTTSHR
SCHEMBL16098874 0.80 HPGD (0.54) GPR6HPGDALDH1A1NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
US-6838565-B2 Substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-04 US disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US disclosed
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM (DE) 2004-07-15 US disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed
WO-2004013128-A1 NOVEL SUBSTITUTED BENZAMIDES PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM (DE) 2004-02-12 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 PLA2G7 254/4885GPR6 2083/4885HPGD 1396/4885
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 PLA2G7 40/4885GPR6 2482/4885HPGD 826/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 PLA2G7 412/4885GPR6 2187/4885HPGD 1671/4885

“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.