SCHEMBL4240109

SCHEMBL4240109

CCOc1ccc([C@H](N)C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
ACACB O00763 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
PARP10 Q53GL7 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LTA4H P09960 2/20 0.40
ADRA2A P08913 2/20 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
SCHEMBL3632750 1.00 NQO1 (0.50) NQO1TSHRTDP1HPGDLMNA
SCHEMBL9617380 0.82 HRH3 (0.50) NQO1TSHRTDP1HPGDLMNA
SCHEMBL297343 0.79 OPRM1 (0.51) TSHRTDP1ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL7600493 0.78 OPRM1 (0.50) TSHRTDP1ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL7600489 0.78 OPRM1 (0.50) TSHRTDP1ALDH1A1CA12CA1
SCHEMBL20436808 0.77 NQO1 (0.64) NQO1TSHRTDP1HPGDLMNA
SCHEMBL17767220 0.75 NQO1 (0.61) NQO1TSHRTDP1ACACBPARP10
SCHEMBL8285036 0.75 NQO1 (0.61) NQO1TSHRTDP1ACACBPARP10
SCHEMBL20766152 0.75 NQO1 (0.61) NQO1TSHRTDP1ACACBPARP10
Hydrochloric Acid SCHEMBL14120656 0.73 NQO1 (0.58) NQO1TSHRTDP1ACACBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 NQO1 212/4885TSHR 1066/4885TDP1 3486/4885

“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.