SCHEMBL22945773

SCHEMBL22945773

CCN(C)[C@H]1Cc2ccc(OC)cc2[C@]2(CC)CCCCC12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 4/20 0.46
▸ GRIN2A Q12879 4/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ SLC22A1 O15245 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ SIGMAR1 Q99720 6/20 0.45
▸ GRIN2D O15399 3/20 0.45
▸ GRIN3B O60391 3/20 0.45
▸ GRIN2B Q13224 3/20 0.45
▸ GRIN2C Q14957 3/20 0.45
▸ GRIN3A Q8TCU5 3/20 0.45
▸ SLC6A4 P31645 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ PMP22 Q01453 2/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ HTR2A P28223 1/20 0.45

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
SCHEMBL18174911 0.91 GRIN1 (0.47) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL24168724 0.89 GRIN1 (0.41) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL25906877 0.86 GRIN1 (0.43) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL23072577 0.86 GRIN1 (0.43) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL13361592 0.85 GRIN1 (0.47) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL26232267 0.85 GRIN1 (0.47) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL23329761 0.83 GRIN1 (0.41) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL16015668 0.82 GRIN1 (0.46) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL23329769 0.81 OPRM1 (0.45) GRIN1GRIN2ACYP2D6SLC22A1TSHR
SCHEMBL23329597 0.80 GRIN1 (0.36) GRIN1GRIN2ACYP2D6SLC22A1TSHR

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-20210030750-A1 BUPROPION AS A MODULATOR OF DRUG ACTIVITY ANTECIP BIOVENTURES II LLC 2021-02-04 — — 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-20210030750-A1 BUPROPION AS A MODULATOR OF DRUG ACTIVITY CYP2D6, OPRM1, DBH GRIN1 577/4885GRIN2A 265/4885CYP2D6 1/4885

“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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