SCHEMBL2201641

SCHEMBL2201641

CC(CCc1ccccn1)(C(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.44
HRH1 P35367 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
PGR P06401 1/20 0.43
THRB P10828 1/20 0.43
ADRB3 P13945 1/20 0.43
OPRK1 P41145 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDE3A Q14432 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 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
SCHEMBL8878783 0.82 TDP1 (0.51) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL9288931 0.80 CYP1A2 (0.49) CYP1A2SMN1; SMN2CYP2C19KMT2AHRH1
SCHEMBL4560574 0.79 MAPT (0.52) CYP1A2CYP2C19KMT2AMAPTKCNH2
SCHEMBL6532240 0.78 CYP1A2 (0.58) CYP1A2SMN1; SMN2CYP2C19KMT2AHRH1
SCHEMBL13859429 0.77 CYP1A2 (0.50) CYP1A2CYP2C19KMT2AHRH1ALOX15
SCHEMBL8503990 0.77 CYP1A2 (0.70) CYP1A2SMN1; SMN2CYP2C19HRH1TDP1
SCHEMBL2749938 0.77 CYP1A2 (0.53) CYP1A2SMN1; SMN2CYP2C19KMT2AHRH1
SCHEMBL8862654 0.76 FDPS (0.47) CYP1A2SMN1; SMN2CYP2C19KMT2APGR
SCHEMBL27535192 0.75 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2C19KMT2AHRH1
SCHEMBL528412 0.75 KMT2A (0.55) CYP1A2CYP2C19KMT2AMAPTBLM

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-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 CYP1A2 4099/4885SMN1; SMN2 1335/4885CYP2C19 4369/4885

“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.