SCHEMBL7531485

SCHEMBL7531485

CC(C)N(Cc1ccccc1)c1cccc(Br)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 5/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGES O14684 1/20 0.35

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
SCHEMBL21635272 0.80 SMN1; SMN2 (0.38) TAAR1TSHRMEN1KMT2AALDH1A1
SCHEMBL28586881 0.78 CTSK (0.44) TSHRALDH1A1ADRA2BADRA2CSLC6A2
SCHEMBL631905 0.76 TAAR1 (0.75) TAAR1
SCHEMBL7844346 0.76 TAAR1 (0.58) TAAR1TSHRMEN1KMT2AALDH1A1
SCHEMBL22032542 0.74 CHRM2 (0.46) TSHRADRA2BADRA2CSLC6A2HTR2A
SCHEMBL5533157 0.71 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HPGDPTGES
SCHEMBL22032505 0.71 CHRM2 (0.42) TSHRMEN1KMT2AALDH1A1ADRA2B
SCHEMBL14813400 0.71 KMT2A (0.40) TSHRMEN1KMT2AALDH1A1ADRA2B
SCHEMBL6632726 0.71 HTR7 (0.42) TAAR1HTR2A
SCHEMBL627250 0.70 TAAR1 (0.53) TAAR1TSHRMEN1KMT2AALDH1A1

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-20020107391-A1 Process for the synthesis of an endothelin receptor antagonist FREY LISA F (US) 2002-08-08 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-20020107391-A1 Process for the synthesis of an endothelin receptor antagonist EDNRA, EDNRB, AGTR2 TAAR1 179/4885TSHR 167/4885MEN1 568/4885

“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.