SCHEMBL412446

SCHEMBL412446

CN1CCN(Cc2ccc(F)c(-c3cc4ccccc4n3C)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHKA P35790 6/20 0.50
HTR6 P50406 5/20 0.47
MC4R P32245 2/20 0.44
CNR2 P34972 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 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
SCHEMBL410495 0.83 CHKA (0.42) CHKAHTR6MC4RKMT2AKDM4E
Fumaric Acid SCHEMBL2704443 0.76 HTR7 (0.42) HTR6MC4RKMT2AKDM4EMEN1
Fumaric Acid SCHEMBL2704445 0.76 HTR7 (0.42) HTR6MC4RKMT2AKDM4EMEN1
SCHEMBL412750 0.74 CHRNB1 (0.49) CHKAMC4RKMT2A
SCHEMBL412721 0.74 DRD4 (0.44) CHKAHTR6KMT2A
SCHEMBL12891510 0.73 ALDH1A1 (0.69) CHKAMC4RKDM4EALDH1A1MAPT
SCHEMBL13499599 0.72 CHKA (0.88) CHKAMC4RKMT2AMEN1PKM
SCHEMBL10071720 0.70 CHKA (0.56) CHKAMC4RKDM4EALDH1A1
SCHEMBL414890 0.69 KDM4E (0.68) CHKAHTR6MC4RKDM4EALDH1A1
SCHEMBL29468844 0.69 KDM4E (0.68) CHKAHTR6MC4RKDM4EALDH1A1

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 9 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
EP-2448921-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-05-09 EP disclosed
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
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
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 2500/4885HTR6 63/4885MC4R 1307/4885

“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.