SCHEMBL20077541

SCHEMBL20077541

CNC(=O)[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
LMNA P02545 3/20 0.38
VCP P55072 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
GSK3B P49841 4/20 0.36
DYRK1A Q13627 3/20 0.36
WNT1 P04628 2/20 0.36
EPHX1 P07099 1/20 0.35
BCHE P06276 1/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10153714 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL103880 0.83
SCHEMBL5909567 0.83 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL8238640 0.83 ALDH1A1 (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL25936256 0.83 ALDH1A1 (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15200263 0.83 ALDH1A1 (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL30714958 0.81
SCHEMBL1652727 0.81 PLG (0.57) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL8253098 0.81 EPHX1 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6019203 0.81 EPHX1 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
WO-2022253167-A1 SUBSTITUTED PHENYL-1H-PYRROLO [2, 3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 WO disclosed
WO-2018071620-A1 HETEROCYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-19 WO 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-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES MLLT1, BMI1, MEN1 CHRNB2 4799/4885CHRNA4 4685/4885CHRNA7 4661/4885

“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.