SCHEMBL1973763

SCHEMBL1973763

Brc1cccc(C[N]Cc2cccc(Br)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
MAOB P27338 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PYCR1 P32322 1/20 0.43
CYP11B1 P15538 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL19314857 0.84 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL2092094 0.84 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL4399626 0.79 TAAR1 (0.74) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL9200966 0.79 TAAR1 (0.60) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL8486630 0.79 TAAR1 (0.46) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL15903395 0.79 TAAR1 (0.73) TAAR1IDO1AGXTSMN1; SMN2ALDH1A1
SCHEMBL16097145 0.79 TAAR1 (0.46) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL2338356 0.79 MIF (0.62) TAAR1IDO1AGXTMAOBSMN1; SMN2
SCHEMBL29353789 0.77
SCHEMBL6882 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 US disclosed
EP-1913007-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2011-06-22 EP disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 US disclosed
EP-1913007-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2008-04-23 EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 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 (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-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS TAAR1 4020/4885IDO1 2385/4885AGXT 4742/4885

“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.