SCHEMBL16627006

SCHEMBL16627006

COc1ccc2c(c1)CCN(C(=O)c1ccccc1)C2Cc1ccc(OC)c(OC(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 6/20 0.60
TP53 P04637 2/20 0.55
MTNR1B P49286 2/20 0.55
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL16627023 0.90 GRIN2C (0.59) GRIN2CTP53MTNR1BLMNAMAPT
SCHEMBL5102988 0.86 GRIN2C (0.59) GRIN2CTP53MTNR1BCYP3A4CYP2D6
SCHEMBL5105385 0.83 GRIN2C (0.61) GRIN2C
SCHEMBL16627050 0.82 MTNR1B (0.60) MTNR1BLMNAMAPTNPSR1CYP3A4
SCHEMBL5116464 0.81 GRIN2C (0.60) GRIN2CTP53
SCHEMBL5105177 0.80 GRIN2C (0.58) GRIN2CTP53CYP3A4CYP2D6CYP2C19
SCHEMBL16627022 0.80 GAA (0.56) TP53MTNR1BLMNAMAPTNPSR1
SCHEMBL16625797 0.80 GRIN2C (0.50) GRIN2CTP53MTNR1BLMNAMAPT
SCHEMBL7902332 0.80 GRIN2C (0.81) GRIN2C
SCHEMBL9587165 0.79 DRD2 (0.66) GRIN2CTP53MTNR1BLMNAMAPT

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-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US disclosed
WO-2015051106-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS MALLINCKRODT LLC (US) 2015-04-09 WO disclosed
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 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-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP GRIN2C 1317/4885TP53 527/4885MTNR1B 3582/4885

“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.