SCHEMBL16627028

SCHEMBL16627028

COc1ccc2c(c1)CCN[C@H]2Cc1ccc(O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
PKM P14618 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ABL1 P00519 1/20 0.55
ALPL P05186 1/20 0.55
GAA P10253 1/20 0.55
RIN1 Q13671 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRB3 P13945 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 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
SCHEMBL10348908 0.90 MEN1 (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10349425 0.89 KDM4E (0.73) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL6989677 0.88 MEN1 (0.60) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL13430578 0.85 KDM4E (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10799546 0.85 KDM4E (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10223068 0.85 KDM4E (0.69) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL21328333 0.85 BCHE (0.72) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL16625835 0.84 DRD2 (0.60) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL13044054 0.83 KDM1A (0.49) MEN1KMT2AKDM4EMAPTPKM
SCHEMBL10348903 0.83 BCHE (0.56) MEN1KMT2AKDM4EMAPTPKM

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 MEN1 945/4885KMT2A 180/4885KDM4E 171/4885

“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.