SCHEMBL6486348

SCHEMBL6486348

COC(=O)C=Cc1ccc(OCCn2ccc3cccnc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
KDM1A O60341 1/20 0.44
TBXAS1 P24557 2/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL7016025 0.88 TBXAS1 (0.57) MTNR1AKDM1ATBXAS1HDAC3HDAC1
SCHEMBL7016021 0.88 TBXAS1 (0.57) MTNR1AKDM1ATBXAS1HDAC3HDAC1
SCHEMBL6486014 0.81 MTNR1A (0.47) MTNR1ATBXAS1KMT2AKDM4ESMN1; SMN2
SCHEMBL6475861 0.80 MTNR1A (0.47) MTNR1ATBXAS1CNR1CNR2
SCHEMBL6485358 0.78 MTNR1A (0.51) MTNR1AKMT2AMAPTMEN1CNR1
SCHEMBL6476520 0.77 PPARG (0.56) MTNR1ACNR1CNR2
SCHEMBL6477814 0.76 PPARG (0.58) MTNR1ATBXAS1KMT2AMAPTMEN1
SCHEMBL7015284 0.74 FFAR1 (0.52) MTNR1ATBXAS1KMT2AMEN1L3MBTL1
SCHEMBL6477969 0.74 MTNR1A (0.48) MTNR1ATBXAS1
SCHEMBL14578720 0.72 MTNR1A (0.64) MTNR1ACNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US disclosed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 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 (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-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same CYP2F1, CYP11B2, CYP4B1 MTNR1A 1004/4885KDM1A 2972/4885TBXAS1 295/4885

“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.