SCHEMBL8037860

SCHEMBL8037860

CC(C)N1Cc2cccc3ccc(-c4cccs4)c(c23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
LTK P29376 1/20 0.35
CDK5 Q00535 1/20 0.35
MST1R Q04912 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ADRB1 P08588 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8392283 0.80 HTR1A (0.38) HTR1AHTR7LTKCDK5MST1R
SCHEMBL8027138 0.76 KDM4E (0.33) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL8025852 0.74 CYP3A4 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8036747 0.72 KCNH2 (0.37)
SCHEMBL28040100 0.64 CYP3A4 (0.37) HTR1AHTR7LTKCDK5MST1R
SCHEMBL9559475 0.64 ALDH1A1 (0.50) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL8935142 0.64 ALDH1A1 (0.42) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL15449628 0.62 KIF11 (0.42) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL1101990 0.62 MEN1 (0.55) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22221914 0.62 MEN1 (0.36) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 HTR1A 1881/4885HTR7 2479/4885LTK 3263/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC HTR1A 2223/4885HTR7 2958/4885LTK 2614/4885

“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.