SCHEMBL29971027

SCHEMBL29971027

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
DRD1 P21728 2/20 0.36
HHAT Q5VTY9 1/20 0.35
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KCNQ2 O43526 1/20 0.30

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
SCHEMBL29970524 0.84 SMN1; SMN2 (0.37) SMN1; SMN2DRD1HHATKMT2ANPC1
SCHEMBL22688218 0.81 NR1H2 (0.35) SMN1; SMN2KMT2ANPC1KDM4E
SCHEMBL20912505 0.78 HHAT (0.51) HHATNPC1TRPV1ALDH1A1
SCHEMBL22688406 0.74 L3MBTL1 (0.33)
SCHEMBL29970949 0.74 DRD1 (0.59) DRD1HHATKMT2A
SCHEMBL29971109 0.73 STAT3 (0.44) ALDH1A1
SCHEMBL19951727 0.69 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ANPC1POLBKDM4E
SCHEMBL20912504 0.68 HHAT (0.46) HHATNPC1TRPV1ALDH1A1
SCHEMBL6648069 0.68 PNMT (0.34) SMN1; SMN2
SCHEMBL16794359 0.67 ADORA1 (0.37) SMN1; SMN2ALDH1A1

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.