SCHEMBL4126667

SCHEMBL4126667

O=C(COCCc1cccc2c1CCCC2)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 2/20 0.44
NAMPT P43490 1/20 0.38
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.35
RORC P51449 1/20 0.35
HPGD P15428 2/20 0.35
PDK2 Q15119 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL3893665 0.81 HTR7 (0.41) ALDH1A1KDM4E
SCHEMBL3883627 0.78 CCR3 (0.42) ALDH1A1KMT2APDK2SMN1; SMN2MEN1
SCHEMBL3887208 0.78 RXRB (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL4140217 0.78 GRM5 (0.44) ALDH1A1KMT2APDK2MEN1MAPT
SCHEMBL3884741 0.74 KMT2A (0.43) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL48051 0.72 KMT2A (0.47) KMT2AKDM4EMEN1TSHRS1PR5
SCHEMBL47962 0.69 OPRM1 (0.43)
SCHEMBL47842 0.69 ADORA2B (0.41) CHRM2CHRM4CHRM1
SCHEMBL29028290 0.68 TSHR (0.40) ALDH1A1LMNAKMT2ASMN1; SMN2MEN1
Water SCHEMBL3885848 0.68 HRH3 (0.39) ALDH1A1KDM4ES1PR5

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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A CHRM2 11/4885CHRM4 71/4885CHRM1 26/4885

“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.