SCHEMBL30002216

SCHEMBL30002216

Cc1ccccc1NCCNCC(O)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
KMT2A Q03164 1/20 0.59
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ATM Q13315 1/20 0.57
ADRB1 P08588 6/20 0.54
ADRB3 P13945 5/20 0.54
ADRB2 P07550 5/20 0.54
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.53
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.50
ABCB1 P08183 1/20 0.49

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
SCHEMBL11243698 1.00 MEN1 (0.59) MEN1OPRM1OPRD1KMT2ATSHR
SCHEMBL10839723 0.88 MEN1 (0.58) MEN1OPRM1OPRD1KMT2ATSHR
SCHEMBL11235495 0.87 ATM (0.59) MEN1OPRM1OPRD1KMT2ATSHR
Hydrochloric Acid SCHEMBL11237704 0.87 MEN1 (0.56) MEN1OPRM1OPRD1KMT2ATSHR
Hydrochloric Acid SCHEMBL7263799 0.87 MEN1 (0.56) MEN1OPRM1OPRD1KMT2ATSHR
Hydrochloric Acid SCHEMBL11239636 0.86 ATM (0.58) MEN1OPRM1OPRD1KMT2ATSHR
SCHEMBL30001529 0.85 ADRB1 (0.59) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL11231197 0.85 ADRB1 (0.59) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL11229497 0.85 MEN1 (0.52) MEN1OPRM1OPRD1KMT2AATM
Hydrochloric Acid SCHEMBL11238428 0.84 ADRB1 (0.53) MEN1OPRM1OPRD1KMT2AATM

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
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 MEN1 3248/4885OPRM1 81/4885OPRD1 157/4885

“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.