SCHEMBL20105037

SCHEMBL20105037

c1ccc(-c2[nH]c3ccccc3c2C(c2ccccc2)N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
CNR1 P21554 7/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
KIF11 P52732 1/20 0.42
CHRM3 P20309 2/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL20105028 0.92 CNR1 (0.50) HSP90AA1CNR1MAPTALDH1A1LMNA
SCHEMBL20105011 0.89 CNR1 (0.53) HSP90AA1CNR1CNR2MAPTLMNA
SCHEMBL20105010 0.89 MIF (0.43) HSP90AA1CNR1MAPTLMNAKIF11
SCHEMBL5262177 0.88 MAPT (0.56) CNR1CNR2MAPTLMNAABCB1
SCHEMBL20105042 0.88 CCNB2 (0.53) HSP90AA1CNR1MAPTALDH1A1LMNA
SCHEMBL21272280 0.86 CNR1 (0.55) CNR1MAPTALDH1A1LMNAKIF11
SCHEMBL20105030 0.84 HTR2A (0.56) CNR1CNR2MAPTALDH1A1LMNA
SCHEMBL20105027 0.80 CCNB2 (0.46) CNR1MAPTLMNAKIF11GAA
SCHEMBL20105008 0.80 CCNB2 (0.46) CNR1MAPTALDH1A1LMNAGAA
SCHEMBL20105038 0.77 CHRM2 (0.60) HSP90AA1CNR1MAPTALDH1A1LMNA

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 HSP90AA1 3554/4885CNR1 457/4885CNR2 550/4885
US-20190256465-A1 3-AMINOALKYLATED INDOLE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IDO1, TPH1, AADAT HSP90AA1 3554/4885CNR1 457/4885CNR2 550/4885

“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.