SCHEMBL24322848

SCHEMBL24322848

O[C@@H](CN[C@H]1CCNC1)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.61
DNM1 Q05193 2/20 0.61
ADRB3 P13945 12/20 0.58
ADRB1 P08588 5/20 0.58
TLR4 O00206 4/20 0.57
DRD2 P14416 3/20 0.54
HTR1A P08908 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
KCNK2 O95069 1/20 0.54
ABCB11 O95342 1/20 0.54
APP P05067 1/20 0.54
ABCB1 P08183 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL2988994 0.94 ADRB2 (0.63) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL2995902 0.89 ADRB2 (0.68) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL4795719 0.87 ADRB2 (0.69) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL14477843 0.84 MEN1 (0.65) ADRB2ADRB3ADRB1HTR1AKDM4E
SCHEMBL5257329 0.81 ADRB3 (0.66) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL2994681 0.80 ADRB3 (0.64) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL7135257 0.79 ADRB2 (0.68) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL3002063 0.78 ADRB2 (0.78) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL7139539 0.78 ADRB2 (0.64) ADRB2DNM1ADRB3ADRB1TLR4
SCHEMBL13206966 0.77 ADRB3 (0.61) ADRB2DNM1ADRB3ADRB1TLR4

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN ADRB2 4353/4885DNM1 3233/4885ADRB3 4263/4885

“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.