SCHEMBL12595705

SCHEMBL12595705

COC(=O)CCc1c[nH]c2c(F)cc(-c3ccccc3)c(OC)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
PDGFRB P09619 1/20 0.38
PTPN1 P18031 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
IKBKB O14920 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
FAAH O00519 1/20 0.35
PTGS2 P35354 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 1/20 0.35
MPO P05164 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1163197 0.89 MTNR1A (0.42) MTNR1AMTNR1BFAAHPTGS2TRPV1
SCHEMBL1163435 0.87 MTNR1A (0.40) MTNR1AMTNR1BFAAHPTGS2TRPV1
SCHEMBL17147642 0.81 MTNR1A (0.39) MTNR1AMTNR1BIKBKBKDM4EFABP4
SCHEMBL12595701 0.80 MTNR1A (0.37) MTNR1AMTNR1BPDGFRBIKBKBFABP4
SCHEMBL1163764 0.73 FFAR1 (0.38) MTNR1AMTNR1BHTT
SCHEMBL10814335 0.69 PTGER4 (0.54) PTPN1CCNCCDK8KMT2AALDH1A1
SCHEMBL12559137 0.69 MTNR1A (0.38) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL29174148 0.69 PTGER1 (0.44) PTPN1CCNCCDK8KMT2AKDM4E
SCHEMBL8486751 0.68 CCNC (0.52) PTPN1CCNCCDK8KMT2AKDM4E
SCHEMBL27773458 0.68 POLB (0.50) MTNR1AMTNR1BPTPN1CCNCCDK8

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-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MTNR1A 65/4885MTNR1B 36/4885PDGFRB 2356/4885

“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.