SCHEMBL21775649

SCHEMBL21775649

OCCCNC[C@@H](O)COc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
OPRM1 P35372 1/20 0.67
OPRD1 P41143 1/20 0.67
KMT2A Q03164 1/20 0.67
LMNA P02545 1/20 0.62
ADRB1 P08588 7/20 0.59
ADRB3 P13945 7/20 0.59
ADRB2 P07550 3/20 0.59
CYP1A2 P05177 1/20 0.59
ATM Q13315 1/20 0.56
CYP2D6 P10635 2/20 0.56
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL20553331 1.00 MEN1 (0.67) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL21775559 1.00 MEN1 (0.67) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7367871 0.94 MEN1 (0.63) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL8825150 0.90 MEN1 (0.70) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL11449949 0.89 MEN1 (0.68) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL6690111 0.86 MEN1 (0.65) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7327969 0.86 MEN1 (0.68) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7367855 0.85 MEN1 (0.63) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL11606524 0.85 MEN1 (0.71) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9363727 0.84 ADRB1 (0.79) MEN1OPRM1OPRD1KMT2ALMNA

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-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 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 (2 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 MEN1 3248/4885OPRM1 81/4885OPRD1 157/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A MEN1 3011/4885OPRM1 40/4885OPRD1 110/4885

“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.