SCHEMBL4030002

SCHEMBL4030002

CCOC(=O)c1ccccc1NCc1nnn(C)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
TSHR P16473 2/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 4/20 0.47
CDC25B P30305 3/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
TP53 P04637 3/20 0.46
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL4025072 0.89 KDM4E (0.52) ADRA1DADRA1AADRA1BKMT2AKDM4E
SCHEMBL11170835 0.76 NPSR1 (0.60) ADRA1DADRA1AADRA1BTSHRKMT2A
SCHEMBL4023277 0.76 ADRA2B (0.38) HSD17B10GAATP53HTT
SCHEMBL1460556 0.75 TSHR (0.67) ADRA1DADRA1AADRA1BTSHRKMT2A
SCHEMBL13279708 0.74 KDM4E (0.64) ADRA1DADRA1AADRA1BTSHRKMT2A
SCHEMBL6014596 0.74 ADRA1D (0.61) ADRA1DADRA1AADRA1BTSHRKMT2A
Hydrochloric Acid SCHEMBL6383958 0.74 TSHR (0.65) ADRA1DADRA1AADRA1BTSHRKMT2A
SCHEMBL3944845 0.74 TSHR (0.69) TSHRKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL27696492 0.73 ADRA1D (0.57) ADRA1DADRA1AADRA1BTSHRKMT2A
SCHEMBL27622822 0.73 ADRA1D (0.60) ADRA1DADRA1AADRA1BTSHRKMT2A

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-1499610-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HITEK CO LTD (KR) 2009-01-21 EP disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
EP-1499610-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-05-24 EP disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
EP-1499610-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2005-01-26 EP disclosed
WO-2003084464-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2003-10-16 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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 ADRA1D 1665/4885ADRA1A 1588/4885ADRA1B 1811/4885

“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.