SCHEMBL410495

SCHEMBL410495

CN1CCN(Cc2cnc(F)c(-c3cc4ccccc4n3C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.42
MC4R P32245 2/20 0.42
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HTR6 P50406 1/20 0.40
TNIK Q9UKE5 2/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
BTK Q06187 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HTR2C P28335 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37

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
Fumaric Acid SCHEMBL2704445 0.91 HTR7 (0.42) MC4RKMT2AKDM4EMEN1ALDH1A1
Fumaric Acid SCHEMBL2704443 0.91 HTR7 (0.42) MC4RKMT2AKDM4EMEN1ALDH1A1
SCHEMBL412446 0.83 CHKA (0.50) CHKAMC4RKMT2AKDM4EMEN1
SCHEMBL412750 0.78 CHRNB1 (0.49) CHKAMC4RKMT2ADRD4DRD3
SCHEMBL412721 0.76 DRD4 (0.44) CHKAKMT2AHTR6DRD4DRD3
SCHEMBL412524 0.73 ALDH1A1 (0.42) CHKAMC4RKMT2AKDM4EMEN1
SCHEMBL31002100 0.65 CHKA (0.46) CHKAMC4RKDM4EALDH1A1MAPT
SCHEMBL13499599 0.64 CHKA (0.88) CHKAMC4RKMT2AMEN1DRD3
SCHEMBL10103705 0.63 KMT2A (0.76) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL18390554 0.63 RET (0.44) CHKAMC4RALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448921-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-05-09 EP claimed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US claimed
WO-2010117085-A1 ARYL INDOLE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO claimed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
WO-2010117085-A1 ARYL INDOLE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO 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-20120022078-A1 ARYL INDOLE DERIVATIVES IDO1, NAT1, IDO2 CHKA 2500/4885MC4R 1307/4885KMT2A 1890/4885

“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.