SCHEMBL4393646

SCHEMBL4393646

COc1cc2c(CCN)c(Br)n(C(C)=O)c2cc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
LMNA P02545 4/20 0.37
TSHR P16473 2/20 0.37
SPR P35270 1/20 0.36
PLA2G2A P14555 1/20 0.36
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL4391870 0.80 ADRB2 (0.49) MTNR1AMTNR1BLMNATSHRPLA2G2A
SCHEMBL4385656 0.77 CA2 (0.35) TAAR1HTR2AHTR2CALDH1A1TSHR
SCHEMBL4397542 0.75 MTNR1A (0.40) TAAR1HTR2AHTR2CKMT2AMEN1
SCHEMBL6422624 0.72 KMT2A (0.52) KMT2AMEN1L3MBTL1ALDH1A1MTNR1A
SCHEMBL15428024 0.70 MTNR1A (0.53) TAAR1HTR2AHTR2CKMT2AMEN1
SCHEMBL28480996 0.70 ALDH1A1 (0.55) KMT2AMEN1L3MBTL1ALDH1A1LMNA
Acetic Acid SCHEMBL31176574 0.70 HTR2A (0.81) TAAR1HTR2AHTR2C
SCHEMBL6421202 0.67 MEN1 (0.43) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL5809547 0.65 HTR2A (1.00) TAAR1HTR2AHTR2C
SCHEMBL23478 0.65 HTR2A (1.00) TAAR1HTR2AHTR2C

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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B TAAR1 32/4885HTR2A 16/4885HTR2C 27/4885

“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.