SCHEMBL3344759

SCHEMBL3344759

COC(=O)c1cc(Br)cnc1NCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.52
OPRK1 P41145 4/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL27854549 0.88 RXFP1 (0.47) RXFP1ALDH1A1KDM4ETSHRMAPK1
SCHEMBL3448673 0.81 OPRK1 (0.50) RXFP1OPRK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL3447654 0.81 ALDH1A1 (0.44) RXFP1ALDH1A1KDM4ETSHRMAPK1
SCHEMBL13188841 0.78 CYP3A4 (0.58) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL4912132 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL18172301 0.77 PIM1 (0.44) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL3449466 0.77 ALDH1A1 (0.44) OPRK1ALDH1A1CNR2
SCHEMBL13348319 0.76 ALDH1A1 (0.41) RXFP1ALDH1A1KDM4ETSHRMAPK1
SCHEMBL18172287 0.75 MAPT (0.47) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL3719404 0.75 OPRK1 (0.75) OPRK1

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD RXFP1 4236/4885OPRK1 634/4885ALDH1A1 530/4885

“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.