SCHEMBL5340002

SCHEMBL5340002

O=C(CC1CC1)NCC1COc2ccc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
ESR1 P03372 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
MCHR1 Q99705 2/20 0.39
MAPK14 Q16539 1/20 0.39
PTGS1 P23219 1/20 0.38
RORC P51449 1/20 0.38
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL5336888 0.79 MTNR1A (0.56) MTNR1AKMT2A
SCHEMBL5337964 0.79 MTNR1A (0.55) MTNR1AITGB3ITGA2BKMT2ATRPV1
SCHEMBL5339473 0.79 MTNR1A (0.55) MTNR1AITGB3ITGA2BKMT2ATRPV1
SCHEMBL5229686 0.76 MTNR1A (0.78) MTNR1AMEN1KMT2A
SCHEMBL17860353 0.71 PLCG1 (0.66) MEN1KMT2ARXFP1MAPK14RORC
SCHEMBL5174929 0.66 RAB9A (0.71) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL5228827 0.64 MTNR1A (1.00) MTNR1A
SCHEMBL28869599 0.62 ITGB3 (0.50) ITGB3ITGA2BMEN1KMT2AMCHR1
SCHEMBL3863436 0.62 MEN1 (0.48) ESR1MEN1KMT2ARXFP1POLB
SCHEMBL5231199 0.62 MTNR1A (0.75) MTNR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183318-B2 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2007-02-27 US disclosed
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 US disclosed
US-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LESIEUR DANIEL (FR) 2004-01-01 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-20040002491-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP4B1, CYP3A5, MC2R MTNR1A 388/4885ITGB3 3090/4885ITGA2B 3329/4885
US-20040002490-A1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them CYP3A5, CYP4B1, MC2R MTNR1A 409/4885ITGB3 3022/4885ITGA2B 3338/4885

“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.