SCHEMBL480125

SCHEMBL480125

Cc1nc(CBr)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.55
GABRD O14764 2/20 0.55
GABRA1 P14867 2/20 0.55
GABRB1 P18505 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRE P78334 2/20 0.55
GABRA6 Q16445 2/20 0.55
GABRG1 Q8N1C3 2/20 0.55
GABRG3 Q99928 2/20 0.55
GABRQ Q9UN88 2/20 0.55
ALDH1A1 P00352 4/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 2/20 0.47

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
SCHEMBL3603220 0.83 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1997423 0.83 SMN1; SMN2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4453924 0.81 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3653761 0.80 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL1169512 0.80 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27587609 0.77 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17632406 0.76 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26932367 0.75 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12481418 0.75 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1965938 0.74 CCR1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334464-B1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MASSACHUSETTS GEN HOSPITAL (US) 2024-04-10 EP disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
EP-1216225-B1 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-07-06 EP disclosed
EP-1216225-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019780-A2 NOVEL DERIVATIVES OF DICARBOXYLIC ACID HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 GABRP 2692/4885GABRD 1882/4885GABRA1 665/4885
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS GABRP 2276/4885GABRD 810/4885GABRA1 2109/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS GABRP 2276/4885GABRD 810/4885GABRA1 2109/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS GABRP 2276/4885GABRD 810/4885GABRA1 2109/4885

“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.