SCHEMBL6236178

SCHEMBL6236178

COC(=O)C1Cc2c([nH]c3ccccc23)C(C)(C(=O)O)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.63
OGFRL1 Q5TC84 1/20 0.63
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 2/20 0.60
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PAX8 Q06710 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
SCHEMBL2706918 0.88 KDM4E (0.77) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL28996304 0.81 OPRM1 (0.60) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL8324242 0.78 KMT2A (0.75) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL12045019 0.78 OPRM1 (1.00) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL1305281 0.78 OPRM1 (1.00) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL28471798 0.78 OPRM1 (0.54) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL14541670 0.75 OPRM1 (0.54) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL3868822 0.75 KDM4E (1.00) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL30345431 0.75 OPRM1 (0.53) OPRM1OGFRL1KMT2AKDM4EMEN1
SCHEMBL1520450 0.74 KDM4E (0.70) OPRM1OGFRL1KMT2AKDM4EMEN1

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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 WO 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 OPRM1 2196/4885OGFRL1 2216/4885KMT2A 500/4885

“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.