SCHEMBL4891565

SCHEMBL4891565

CC(C)(CCn1cnc(-c2ccc(OCc3ccccc3)cc2)c1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MCL1 Q07820 5/20 0.46
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
QPCT Q16769 1/20 0.44
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
MAPK14 Q16539 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SMPD1 P17405 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL4896123 0.84 RAB9A (0.39) MAPTGABRA1GABRB2
SCHEMBL5327317 0.73 KDM4E (0.60) MEN1KMT2AKDM4EMAPTPTGS1
SCHEMBL28134378 0.72 FFAR1 (0.56) MEN1KMT2AKDM4EMAPT
SCHEMBL14946884 0.72 MCL1 (0.52) MEN1KMT2AMCL1GABRA1GABRB2
SCHEMBL2287125 0.70 RAB9A (0.36) MEN1KMT2AMAPT
SCHEMBL25080987 0.69 L3MBTL1 (0.46) MCL1
SCHEMBL4688360 0.69 MCL1 (0.56) MEN1KMT2AMCL1GABRA1GABRB2
SCHEMBL25081015 0.68 FAAH (0.63) MCL1
SCHEMBL5353450 0.68 PDE10A (0.44) MAPT
SCHEMBL12985062 0.68 CYP2E1 (0.42)

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-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 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-20080300290-A1 Novel Beta-Agonists, Process for Their Preparation and Their Use as Medicaments ADRB1, ADRB3, ADRB2 MEN1 3039/4885KMT2A 2675/4885KDM4E 2273/4885

“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.