SCHEMBL664282

SCHEMBL664282

NC(=O)CCc1cc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.56
RHEB Q15382 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
PIN1 Q13526 1/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
FLT3 P36888 1/20 0.47
AOC3 Q16853 2/20 0.47
MAPT P10636 1/20 0.46
DAO P14920 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 2/20 0.46

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
SCHEMBL30052135 1.00 MTNR1A (0.57) MTNR1AMTNR1BLOXL2RHEBHRH3
SCHEMBL9375185 0.92 MTNR1A (0.56) MTNR1AMTNR1BLOXL2HRH3KDM4E
SCHEMBL29417817 0.86 MTNR1A (0.60) MTNR1AMTNR1BLOXL2HRH3KDM4E
SCHEMBL606161 0.86 MTNR1A (0.60) MTNR1AMTNR1BLOXL2HRH3KDM4E
SCHEMBL29272703 0.85 MTNR1A (0.59) MTNR1AMTNR1BLOXL2HRH3KDM4E
SCHEMBL12714834 0.83 MTNR1A (0.66) MTNR1AMTNR1BLOXL2HRH3KDM4E
SCHEMBL27578457 0.83 SIRT1 (0.64) MTNR1AMTNR1BLOXL2KDM4EALDH1A1
SCHEMBL630523 0.83 SIRT1 (0.64) MTNR1AMTNR1BLOXL2KDM4EALDH1A1
Zinc Ion SCHEMBL30949479 0.82 MTNR1A (0.56) MTNR1AMTNR1BLOXL2HRH3KDM4E
SCHEMBL2350320 0.82 MTNR1A (0.56) MTNR1AMTNR1BLOXL2HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1144529-A Heterocyclic compounds, their preparation and use NOVO NORDISK AS (DK) 1997-03-05 CN claimed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP claimed
US-20120042882-A1 PARTICLES WITH CHARGED SURFACE DOMAINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 US disclosed
US-20070105937-A1 Indole-3-propionamide and derivatives thereof PAPPOLLA MIGUEL 2007-05-10 US disclosed
EP-1068199-B1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-11-13 EP disclosed
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
EP-1068199-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-17 EP disclosed
US-6150533-A ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP. (US) 2000-11-21 US disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051591-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP 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-20070105937-A1 Indole-3-propionamide and derivatives thereof IDO1, INMT, IDO2 MTNR1A 98/4885MTNR1B 168/4885LOXL2 1607/4885

“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.