SCHEMBL6705605

SCHEMBL6705605

NCCc1ccc(CO)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.48
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.41
TDP1 Q9NUW8 5/20 0.38
KDM4E B2RXH2 4/20 0.38
RECQL P46063 4/20 0.38
ADRA2A P08913 3/20 0.38
SLC6A2 P23975 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
APEX1 P27695 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL6224881 0.85 TAAR1 (0.47) TAAR1HTR2ATDP1KDM4ERECQL
SCHEMBL10264740 0.84 CA2 (0.36) TAAR1HTR2ARECQLSLC6A2SLC6A3
SCHEMBL2970964 0.81 EGFR (0.43) KDM4ERECQLSLC6A2SLC6A3HSD17B10
SCHEMBL16951823 0.81 CNR2 (0.37) SLC6A2MAPTSLC6A3ALOX15CYP2D6
SCHEMBL6708298 0.81 TAAR1 (0.48) TAAR1HTR2AHTR2CTDP1KDM4E
SCHEMBL28116648 0.80 BACE1 (0.43) TAAR1HTR2ATDP1KDM4ERECQL
SCHEMBL14765258 0.77 CA2 (0.36) TAAR1HTR2AKDM4EMAPTALDH1A1
SCHEMBL2666218 0.76 EGFR (0.40) SLC6A2MAPTSLC6A3ALOX15HSD17B10
SCHEMBL14769310 0.76 ABAT (0.38) SNCA
SCHEMBL15471729 0.74 TAAR1 (0.47) TAAR1TDP1KDM4ERECQLADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R TAAR1 141/4885HTR2A 56/4885HTR2C 78/4885

“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.