SCHEMBL3448673

SCHEMBL3448673

COC(=O)c1cc(Br)cnc1OCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3448272 0.87 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTHTTTSHR
SCHEMBL3344759 0.81 RXFP1 (0.52) OPRK1SMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL26105427 0.81 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MAPTHTTTSHR
SCHEMBL3448683 0.80 GAA (0.41) SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL3447564 0.78 OPRK1 (0.48) OPRK1
SCHEMBL3348625 0.78 CNR2 (0.50) OPRK1
SCHEMBL3448831 0.77 OPRK1 (0.46) OPRK1SMN1; SMN2ALDH1A1RXFP1
SCHEMBL31481547 0.76 CNR2 (0.46) OPRK1
SCHEMBL3719404 0.76 OPRK1 (0.75) OPRK1
SCHEMBL29574379 0.76 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 3 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

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 OPRK1 634/4885SMN1; SMN2 3328/4885ALDH1A1 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.