SCHEMBL26523503

SCHEMBL26523503

O=C[C@@H]1CNCCN1Cc1ccc2c(c1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CMA1 P23946 1/20 0.39
FAAH O00519 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL13264581 0.88 LMNA (0.38) CYP2D6GAAALDH1A1LMNAMAPT
SCHEMBL5191954 0.80 KMT2A (0.44) CYP2D6TSHRKMT2AMEN1PKM
SCHEMBL27668212 0.78 SOS1 (0.43) TSHRKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL9048276 0.76 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL27668148 0.76 ALDH1A1 (0.45) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6645562 0.76 CYP2C19 (0.49) TSHRKMT2AMEN1GAAALDH1A1
SCHEMBL28248966 0.75 HTR2A (0.35) CYP2D6SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL3143023 0.74 CYP2D6 (0.68) CYP2D6SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL27610338 0.73 KDM4E (0.43) KDM4EALDH1A1LMNAL3MBTL1HTR2A
SCHEMBL27831282 0.72 ALDH1A1 (0.48) SMN1; SMN2KMT2AMEN1KDM4EGAA

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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 CYP2D6 1384/4885SMN1; SMN2 4565/4885TSHR 1066/4885

“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.