SCHEMBL16625800

SCHEMBL16625800

O=C(c1ccccc1)N1CCc2cc(CO)ccc2C1Cc1ccc(CO)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 4/20 0.46
MTNR1B P49286 2/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 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
SCHEMBL16625797 0.87 GRIN2C (0.50) GRIN2CMTNR1BLMNAMAPTNPSR1
SCHEMBL16625803 0.85 MTNR1B (0.47) MTNR1BDRD2DRD4
SCHEMBL16625795 0.84 DRD2 (0.45) MTNR1BLMNAMAPTNPSR1DRD2
SCHEMBL12744530 0.80 DRD2 (0.64) LMNADRD2DRD4
SCHEMBL16625811 0.78 DRD2 (0.45) MTNR1BDRD2DRD4
SCHEMBL16627023 0.77 GRIN2C (0.59) GRIN2CMTNR1BLMNAMAPTNPSR1
SCHEMBL9587165 0.75 DRD2 (0.66) GRIN2CMTNR1BLMNAMAPTNPSR1
SCHEMBL5102988 0.74 GRIN2C (0.59) GRIN2CMTNR1BCA12CA1CA2
SCHEMBL16625794 0.73 PDE4D (0.44) MTNR1BLMNAMAPTNPSR1
SCHEMBL16625812 0.71 MTNR1B (0.46) MTNR1BLMNAMAPTNPSR1

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-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US 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 1317/4885MTNR1B 3582/4885LMNA 3267/4885

“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.