SCHEMBL2018753

SCHEMBL2018753

COC(=O)N(C)CCc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
LTB4R Q15722 3/20 0.50
LTB4R2 Q9NPC1 3/20 0.50
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
FPR2 P25090 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPY5R Q15761 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDO1 P14902 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2097870 0.83 NPY5R (0.56) TAAR1LTB4RLTB4R2KMT2ANPY5R
SCHEMBL1129151 0.83 TAAR1 (0.50) TAAR1LTB4RLTB4R2POLBCTDSP1
SCHEMBL2016545 0.81 TAAR1 (0.59) TAAR1KMT2AKDM4ESIGMAR1ALDH1A1
SCHEMBL4323095 0.81 MMP3 (0.52) LTB4RLTB4R2HRH3NPY5RHDAC1
SCHEMBL8423833 0.81 HRH3 (0.41) LTB4RLTB4R2HRH3NPY5RHDAC1
SCHEMBL8586151 0.80 CCR6 (0.42) KMT2AHDAC1HDAC6TSHRALDH1A1
SCHEMBL3863448 0.79 LTB4R (0.52) TAAR1LTB4RLTB4R2KDM4ENPY5R
SCHEMBL3534499 0.78 KCNH2 (0.53) KMT2AMEN1TDP1SIGMAR1TSHR
SCHEMBL17226273 0.78 TSHR (0.40) LTB4RLTB4R2KMT2AKDM4ETSHR
SCHEMBL28634091 0.77 TAAR1 (0.55) TAAR1LTB4RLTB4R2POLBCTDSP1

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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 TAAR1 4723/4885LTB4R 182/4885LTB4R2 179/4885

“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.