SCHEMBL3083170

SCHEMBL3083170

Cc1ccc(Br)c([C]=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
MAPK1 P28482 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TRPA1 O75762 1/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL11110756 0.82 RAB9A (0.38) ALDH1A1CYP1A2CYP2A6MAPK1NPC1
SCHEMBL5962213 0.78 CYP2A6 (0.39) ALDH1A1CYP1A2CYP2A6NPC1MEN1
SCHEMBL29728269 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2A6MAPK1MAOA
SCHEMBL16951557 0.77 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2A6MAPK1NPC1
SCHEMBL2730509 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2A6MAPK1MAOA
SCHEMBL1798477 0.76 HSP90AA1 (0.46) ALDH1A1CYP1A2CYP2A6MAPK1MEN1
SCHEMBL1314814 0.76 TDP1 (0.42) ALDH1A1CYP1A2CYP2A6MEN1KMT2A
SCHEMBL12786003 0.76 ACHE (0.35) ALDH1A1CYP1A2CYP2A6MAPK1NPC1
SCHEMBL8370195 0.74 HSP90AA1 (0.30) HSP90AA1
SCHEMBL8321394 0.73 TDP1 (0.52) ALDH1A1CYP1A2CYP2A6MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US claimed
CN-1930162-B Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD 2010-06-16 CN claimed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP claimed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US claimed
CN-1930162-A Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-14 CN claimed
EP-1725553-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-11-29 EP claimed
WO-2005095397-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed
CN-105439974-A A preparing method of a lipase inhibitor TIANJIN INST OF PHARMACEUTICAL RES CO LTD 2016-03-30 CN disclosed
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US disclosed
CN-1930162-B Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD 2010-06-16 CN disclosed
US-7714132-B2 Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-05-11 US disclosed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP disclosed
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN disclosed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
CN-1930162-A Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-14 CN disclosed
EP-1725553-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-11-29 EP disclosed
WO-2005095397-A1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 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 (2 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-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A ALDH1A1 987/4885CYP1A2 45/4885CYP2A6 194/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C ALDH1A1 927/4885CYP1A2 55/4885CYP2A6 210/4885

“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.