SCHEMBL4140217

SCHEMBL4140217

O=C(COCCc1ccccc1Cl)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.41
PDK2 Q15119 1/20 0.40
TP53 P04637 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
SCHEMBL3883627 0.90 CCR3 (0.42) GRM5MEN1KMT2APOLBALDH1A1
SCHEMBL3884741 0.86 KMT2A (0.43) GRM5MEN1KMT2APOLBALDH1A1
SCHEMBL3888022 0.78 KCNH2 (0.51) KMT2AALDH1A1MAPT
SCHEMBL4126667 0.78 CHRM2 (0.44) MEN1KMT2AALDH1A1MAPTPDK2
SCHEMBL48051 0.76 KMT2A (0.47) MEN1KMT2AMAPK1
SCHEMBL3891807 0.73 KMT2A (0.47) KMT2AMAPK1
SCHEMBL48033 0.71 MTNR1A (0.46) POLBALDH1A1
SCHEMBL48100 0.71 MTNR1A (0.46) POLBALDH1A1
SCHEMBL3885528 0.71 POLB (0.57) GRM5MEN1KMT2APOLBMAPT
SCHEMBL14223371 0.71 NPC1 (0.55) MEN1KMT2APOLBALDH1A1MAPT

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 GRM5 763/4885MEN1 1450/4885KMT2A 1329/4885

“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.