SCHEMBL29970524

SCHEMBL29970524

C[C@@H]1c2cc(Br)sc2CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
DRD1 P21728 2/20 0.36
HHAT Q5VTY9 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PNMT P11086 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6648069 0.84 PNMT (0.34) SMN1; SMN2PNMT
SCHEMBL29971027 0.84 SMN1; SMN2 (0.36) SMN1; SMN2DRD1HHATNPC1POLB
SCHEMBL21236297 0.81 UCHL1 (0.36) SMN1; SMN2LMNAMAPK1HTTNPC1
SCHEMBL28449413 0.78 SMN1; SMN2 (0.36) SMN1; SMN2DRD1LMNAMAPK1HTT
SCHEMBL29970949 0.75 DRD1 (0.59) DRD1HHATMAPK1KMT2A
SCHEMBL28764376 0.72 CAMK2A (0.46) SMN1; SMN2DRD1LMNAMAPK1HTT
SCHEMBL29088742 0.72 SMN1; SMN2 (0.45) SMN1; SMN2DRD1LMNAMAPK1HTT
SCHEMBL19951727 0.70 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPK1HTTNPC1
SCHEMBL6681888 0.69 PTPN1 (0.35) LMNAPOLBKDM4EPNMTKMT2A
SCHEMBL28825267 0.69 GID4 (0.42) DRD1LMNAMAPK1HTTNPC1

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
EP-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 EP disclosed
US-11491157-B2 Cycloalkyl substituted pyrazolopyrimidines having activity against RSV Janssen Sciences Ireland Unlimited Company Co Cork, IE (IE) 2022-11-08 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-11491157-B2 Cycloalkyl substituted pyrazolopyrimidines having activity against RSV ACE, ACE2, PTBP1 SMN1; SMN2 558/4885DRD1 3977/4885HHAT 2436/4885

“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.