SCHEMBL8027741

SCHEMBL8027741

COc1ccc2c3c(cccc13)CN(C(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
USP2 O75604 2/20 0.46
S100A4 P26447 1/20 0.46
PRMT1 Q99873 1/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 3/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
PABPC1 P11940 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8391832 0.78 KMT2A (0.49) KMT2AMEN1USP2S100A4PRMT1
SCHEMBL18499935 0.78 KMT2A (0.68) KMT2AMEN1USP2S100A4PRMT1
SCHEMBL8036747 0.78 KCNH2 (0.37) GABRA1GABRG2GABRB3KCNH2TMEM97
SCHEMBL27010070 0.76 ABHD6 (0.47) MAPTGABRA1GABRG2GABRB3ALDH1A1
SCHEMBL23711841 0.74 GABRA1 (0.40) KMT2AMEN1MAPTKDM4EGABRA1
SCHEMBL22221914 0.73 MEN1 (0.36) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL8025852 0.72 CYP3A4 (0.41) KMT2AMEN1MAPTKDM4EHSD17B10
SCHEMBL16624022 0.72 ABHD6 (0.50) GABRA1GABRG2GABRB3
SCHEMBL10383112 0.70 HRH3 (0.53) KMT2AMEN1MAPTKCNH2TMEM97
SCHEMBL8026888 0.70 CYP1A2 (0.36) MAPTLMNACYP1A2

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-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-12-25 US disclosed
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-13 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-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 KMT2A 2812/4885MEN1 4649/4885USP2 1340/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC KMT2A 2835/4885MEN1 4697/4885USP2 1223/4885

“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.