SCHEMBL7202654

SCHEMBL7202654

CC(=O)NCC1=C(C)Oc2ccccc2O1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.70
NPSR1 Q6W5P4 1/20 0.42
SETDB1 Q15047 1/20 0.40
ELANE P08246 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MTNR1B P49286 5/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7198383 0.83 MTNR1A (1.00) MTNR1ANPSR1SETDB1ELANEKMT2A
SCHEMBL6077210 0.72 MTNR1A (0.78) MTNR1ANPSR1ELANEKMT2AMTNR1B
SCHEMBL7198985 0.72 MTNR1A (0.73) MTNR1ANPSR1SETDB1ELANEKMT2A
SCHEMBL7198597 0.70 MTNR1A (1.00) MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL6077132 0.69 MTNR1A (0.52) MTNR1AKMT2AMTNR1BKDM4ENPC1
SCHEMBL6077349 0.68 MTNR1A (0.51) MTNR1AKMT2AMTNR1BRAB9A
SCHEMBL14204990 0.68 SETDB1 (0.59) MTNR1ANPSR1SETDB1KMT2AMTNR1B
Acetone SCHEMBL28309933 0.66 P2RX4 (0.47) MTNR1ANPSR1KMT2AHDAC1HDAC6
SCHEMBL97001 0.66 KMT2A (0.68) KMT2ALMNAHDAC1HDAC6ALDH1A1
SCHEMBL16582549 0.66 AHR (0.43) LMNAKDM4E

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-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885NPSR1 24/4885SETDB1 1676/4885

“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.