SCHEMBL8025619

SCHEMBL8025619

CC(C)N1C[C@H](c2ccccc2)[C@H](c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.51
HRH3 Q9Y5N1 3/20 0.50
KIF11 P52732 1/20 0.46
CHRNA7 P36544 1/20 0.44
KCNH2 Q12809 2/20 0.44
MAOB P27338 8/20 0.43
MAOA P21397 7/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
HTR2C P28335 2/20 0.43
LMNA P02545 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2A6 P11509 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL8037056 1.00 KDM1A (0.51) KDM1AHRH3KIF11CHRNA7KCNH2
SCHEMBL21787710 0.88 HRH3 (0.49) KDM1AHRH3KIF11CHRNA7KCNH2
SCHEMBL17086699 0.88 HRH3 (0.49) KDM1AHRH3KIF11CHRNA7KCNH2
SCHEMBL22962229 0.88 MAOB (0.52) KDM1AHRH3KIF11KCNH2MAOB
SCHEMBL14213478 0.88 HRH3 (0.49) KDM1AHRH3KIF11CHRNA7KCNH2
SCHEMBL14627075 0.88 HRH3 (0.49) KDM1AHRH3KIF11CHRNA7KCNH2
SCHEMBL18022013 0.88 MAOB (0.52) KDM1AHRH3KIF11KCNH2MAOB
SCHEMBL14591980 0.86 KDM1A (0.45) KDM1AHRH3KIF11CHRNA7KCNH2
SCHEMBL14213465 0.86 HRH3 (0.48) KDM1AHRH3KIF11CHRNA7KCNH2
SCHEMBL17084094 0.86 KDM1A (0.45) KDM1AHRH3KIF11CHRNA7KCNH2

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 KDM1A 1416/4885HRH3 3236/4885KIF11 4661/4885
US-20080317712-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS PREP, DNPEP, CTSC KDM1A 1623/4885HRH3 3193/4885KIF11 4665/4885

“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.