SCHEMBL22654456

SCHEMBL22654456

COC(=O)[C@H]1C[C@H](c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.42
▸ SLC6A3 Q01959 10/20 0.42
▸ SLC6A2 P23975 3/20 0.42
▸ CHRNA1 P02708 2/20 0.40
▸ CHRNG P07510 2/20 0.40
▸ ITGA5 P08648 2/20 0.40
▸ CHRNB1 P11230 2/20 0.40
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ CHRND Q07001 2/20 0.40

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
SCHEMBL22654437 1.00 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL21236191 1.00 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL20073952 0.87 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL21236206 0.84 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL18198499 0.84 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL20817354 0.83 KDM1A (0.45) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL21236589 0.80 SLC6A2 (0.40) SLC6A4SLC6A2
SCHEMBL22654409 0.80 SLC6A2 (0.40) SLC6A4SLC6A2
SCHEMBL21236593 0.80 SLC6A2 (0.40) SLC6A4SLC6A2
SCHEMBL28111403 0.80 SLC6A2 (0.42) SLC6A4SLC6A2

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
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
US-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 — — US disclosed
US-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN-CILAG (FR) 2020-11-19 — — 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 (2 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-20200360387-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV ACE, ACE2, PTBP1 SLC6A4 4203/4885SLC6A3 4789/4885SLC6A2 4651/4885
US-11491157-B2 Cycloalkyl substituted pyrazolopyrimidines having activity against RSV ACE, ACE2, PTBP1 SLC6A4 4155/4885SLC6A3 4766/4885SLC6A2 4631/4885

“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.

Send feedback