SCHEMBL21089609

SCHEMBL21089609

COCCNCCc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.42
MAOB P27338 1/20 0.42
PKM P14618 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
SCHEMBL3622330 0.85 CYP1A2 (0.60) TAAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL2808421 0.83 TAAR1 (0.57) TAAR1MEN1KMT2AIDO1AGXT
SCHEMBL30739138 0.83 TAAR1 (0.57) TAAR1MEN1KMT2AIDO1AGXT
SCHEMBL552961 0.81 TAAR1 (0.66) TAAR1CYP1A2CYP2D6CYP2C19GPR84
SCHEMBL8209947 0.81 TAAR1 (0.60) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL10201988 0.81 KDM4E (0.47) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29602871 0.80 TAAR1 (0.55) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL553063 0.80 TAAR1 (0.68) TAAR1CYP1A2CYP2D6CYP2C19GPR84
SCHEMBL2808674 0.80 TAAR1 (0.53) TAAR1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL7235032 0.79 GAA (0.65) TAAR1KDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 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 (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-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 TAAR1 4137/4885KDM4E 2722/4885ALDH1A1 364/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 TAAR1 4137/4885KDM4E 2722/4885ALDH1A1 364/4885

“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.