SCHEMBL1397997

SCHEMBL1397997

CCOC(=O)c1cc2cc(OC3CCN(C(C)C)CC3)c(Cl)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.50
ALOX15 P16050 1/20 0.47
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL3247912 0.90 HRH3 (0.52) HRH3ALOX15RAB9AKDM4EALDH1A1
SCHEMBL1398003 0.88 HRH3 (0.50) HRH3ALOX15RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1397945 0.85 HRH3 (0.53) HRH3
SCHEMBL18331877 0.83 HRH3 (0.54) HRH3ALOX15RAB9AKDM4EALDH1A1
SCHEMBL5023499 0.82 HRH3 (0.66) HRH3ALOX15RAB9AKDM4EALDH1A1
SCHEMBL1397942 0.82 HRH3 (0.68) HRH3RAB9AKDM4EALDH1A1HPGD
SCHEMBL3248094 0.81 HRH3 (0.61) HRH3RAB9AKMT2AMEN1ATM
SCHEMBL18332545 0.81 HRH3 (0.44) HRH3RAB9AKDM4EALDH1A1HPGD
SCHEMBL3247198 0.80 HRH3 (0.60) HRH3RAB9AKMT2AMEN1ATM
SCHEMBL18331882 0.80 HRH3 (0.49) HRH3ALOX15RAB9AKDM4EALDH1A1

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-1957479-B1 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7745479-B2 1,5-substituted indol-2-yl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-06-29 US disclosed
EP-2118089-B1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
US-7507736-B2 Indol-2-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US disclosed
US-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 US 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-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives HRH4, HRH3, HRH2 HRH3 2/4885ALOX15 3600/4885RAB9A 1699/4885
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885ALOX15 3260/4885RAB9A 3357/4885

“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.