SCHEMBL20105008

SCHEMBL20105008

Fc1cccc(C(c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
CNR1 P21554 8/20 0.45
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
VDR P11473 1/20 0.35

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
SCHEMBL20105011 0.92 CNR1 (0.53) CNR1MAPTGAALMNAOPRM1
SCHEMBL20105033 0.88 CCNB2 (0.48) CCNB2CDK1CCNB1CCNB3CNR1
SCHEMBL20105042 0.87 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3CNR1
SCHEMBL20105027 0.82 CCNB2 (0.46) CCNB2CDK1CCNB1CCNB3CNR1
SCHEMBL20105037 0.80 HSP90AA1 (0.47) CNR1MAPTGAALMNAALDH1A1
SCHEMBL20105028 0.80 CNR1 (0.50) CNR1MAPTGAALMNAALDH1A1
SCHEMBL20105014 0.79 CNR1 (0.53) CNR1MAPTGAALMNAOPRM1
SCHEMBL21272280 0.77 CNR1 (0.55) CNR1MAPTLMNAHSD17B10ALDH1A1
SCHEMBL21272281 0.76 CHRM2 (0.52) CCNB2CDK1CCNB1CCNB3CNR1
SCHEMBL20105026 0.74 CHRM2 (0.58) CCNB2CDK1CCNB1CCNB3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256465-A1 3-AMINOALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-08-22 US claimed
US-10597362-B2 3-aminoalkylated indole derivative, method for the preparation thereof, and pharmaceutical composition comprising the same SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2020-03-24 US disclosed
US-20190256465-A1 3-AMINOALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-08-22 US disclosed
US-20190256465-A1 3-AMINOALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SEOUL NATIONAL UNIVERSITY HOSPITAL (KR) 2019-08-22 US disclosed
WO-2018080215-A1 3-AMINO ALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-05-03 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 (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-10597362-B2 3-aminoalkylated indole derivative, method for the preparation thereof, and pharmaceutical composition comprising the same IDO1, TPH1, AADAT CCNB2 3697/4885CDK1 2609/4885CCNB1 2930/4885
US-20190256465-A1 3-AMINOALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IDO1, TPH1, AADAT CCNB2 3697/4885CDK1 2609/4885CCNB1 2930/4885

“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.