SCHEMBL2996239

SCHEMBL2996239

CCOCCN(CCc1ccccc1Br)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 1/20 0.38
RIPK1 Q13546 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EGFR P00533 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
NR1I2 O75469 1/20 0.34
CYP3A4 P08684 1/20 0.34
RAB9A P51151 2/20 0.34
NFKB1 P19838 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3653521 0.86 TAAR1 (0.47) TAAR1HPGDHTTNAMPTTSHR
SCHEMBL3003719 0.84 TAAR1 (0.45) TAAR1RIPK1LMNAL3MBTL1EGFR
SCHEMBL2996044 0.80 HDAC1 (0.51) TAAR1HPGDLMNATSHRKMT2A
SCHEMBL1847562 0.80 KMT2A (0.46) TAAR1LMNAL3MBTL1KMT2AMEN1
SCHEMBL1846498 0.73 TAAR1 (0.37) TAAR1RIPK1L3MBTL1KMT2AMEN1
SCHEMBL3005615 0.73 TAAR1 (0.44) TAAR1RIPK1LMNAL3MBTL1TSHR
SCHEMBL6110843 0.71 HDAC1 (0.47) EGFR
SCHEMBL3650149 0.69 TAAR1 (0.49) TAAR1EGFRPKM
SCHEMBL2996016 0.68 TAAR1 (0.56) TAAR1HPGDHTTLMNATSHR
SCHEMBL3003724 0.68 TAAR1 (0.47) TAAR1EGFRRAB9ANPC1PKM

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-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 TAAR1 1133/4885HPGD 917/4885HTT 1491/4885

“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.