SCHEMBL29458465

SCHEMBL29458465

O=C(Nc1cc(F)c(F)c(F)c1)C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
ULK1 O75385 2/20 0.43
ROCK2 O75116 2/20 0.41
DYRK1B Q9Y463 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 1/20 0.40
KHK P50053 1/20 0.40
BRPF1 P55201 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKCQ Q04759 1/20 0.39
EGFR P00533 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL22644319 1.00 F10 (0.46) F10ULK1ROCK2DYRK1BLMNA
Hydrochloric Acid SCHEMBL22632743 0.98 F10 (0.45) F10ULK1ROCK2DYRK1BLMNA
Hydrochloric Acid SCHEMBL16671518 0.98 F10 (0.45) F10ULK1ROCK2DYRK1BLMNA
SCHEMBL18045234 0.90 F10 (0.40) F10ULK1ROCK2DYRK1BLMNA
SCHEMBL18045233 0.90 F10 (0.40) F10ULK1ROCK2DYRK1BLMNA
SCHEMBL16670833 0.90 ROCK2 (0.45) F10ULK1ROCK2LMNAMEN1
Hydrochloric Acid SCHEMBL16671308 0.89 F10 (0.39) F10ULK1ROCK2DYRK1BLMNA
Hydrochloric Acid SCHEMBL16671309 0.89 F10 (0.39) F10ULK1ROCK2DYRK1BLMNA
Hydrochloric Acid SCHEMBL30664760 0.89 F10 (0.39) F10ULK1ROCK2DYRK1BLMNA
Tert-Butyl Formate SCHEMBL28051754 0.85 F10 (0.42) F10ULK1DYRK1BHTR2CKHK

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-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2023-12-07 US disclosed
WO-2022087422-A9 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-06-09 WO disclosed
WO-2022087422-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES CHULALONGKORN UNIVERSITY (TH) 2022-04-28 WO disclosed
EP-3966205-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-03-16 EP 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-20230391752-A1 PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AND RELATED USES GLS2, PYGL, CPS1 F10 2547/4885ULK1 4209/4885ROCK2 4438/4885

“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.