SCHEMBL13265580

SCHEMBL13265580

CC(C)NCC(COc1cccc2ccccc12)OC(=O)CCCON(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 5/20 0.57
▸ ADRB2 P07550 5/20 0.53
▸ ADRB1 P08588 5/20 0.53
▸ CYP2D6 P10635 5/20 0.53
▸ SIGMAR1 Q99720 4/20 0.53
▸ ADRB3 P13945 4/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ SLC6A4 P31645 3/20 0.53
▸ HTR2B P41595 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HTR2A P28223 3/20 0.53
▸ HTR2C P28335 3/20 0.53
▸ HTR6 P50406 3/20 0.53
▸ HTR1B P28222 3/20 0.53
▸ SCN1A P35498 2/20 0.53
▸ SLC10A1 Q14973 2/20 0.53
▸ SCN2A Q99250 2/20 0.53
▸ SCN3A Q9NY46 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTR1A P08908 2/20 0.53

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
SCHEMBL13077341 0.88 NR2E1 (0.56) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL14107149 0.87 NR2E1 (0.63) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL22354579 0.86 NR2E1 (0.67) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL7770898 0.85 NR2E1 (0.60) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL11025259 0.85 NR2E1 (0.60) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL3259801 0.85 NR2E1 (0.55) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL13077340 0.83 NR2E1 (0.39) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL25587771 0.82 NR2E1 (0.68) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL2796170 0.80 NR2E1 (0.54) NR2E1ADRB2ADRB1CYP2D6SIGMAR1
SCHEMBL13077335 0.80 NR2E1 (0.56) NR2E1ADRB2ADRB1CYP2D6SIGMAR1

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-7759392-B2 Pharmaceutical compounds NICOX S.A. (FR) 2010-07-20 — — US disclosed
US-20090170941-A1 Pharmaceutical Compounds NICOX S.A. (FR) 2009-07-02 — — 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-20090170941-A1 Pharmaceutical Compounds NR0B2, NR0B1, CYP11B2 NR2E1 45/4885ADRB2 16/4885ADRB1 9/4885

“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.

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