SCHEMBL5885783

SCHEMBL5885783

O=C(O)C1CCC(c2ccc(F)cc2)=N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
APAF1 O14727 1/20 0.49
GRK2 P25098 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
NR3C2 P08235 2/20 0.39
NT5E P21589 1/20 0.39
RAB9A P51151 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 2/20 0.36
CYP2C9 P11712 1/20 0.36
NOTUM Q6P988 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22534057 0.85 MIF (0.41) RAB9ACYP3A4CYP1A2CYP2C9PRKAG1
SCHEMBL18114343 0.85 MIF (0.41) RAB9ACYP3A4CYP1A2CYP2C9PRKAG1
SCHEMBL14328250 0.84 RAB9A (0.39) RAB9ANPC1PRKAG1PRKAA2PRKAB1
SCHEMBL9542642 0.84 RAB9A (0.39) RAB9ANPC1PRKAG1PRKAA2PRKAB1
SCHEMBL4505849 0.83 L3MBTL1 (0.43) POLBRAB9ACYP2C19CYP1A2NPC1
Hydrochloric Acid SCHEMBL22534094 0.83 MIF (0.40) RAB9APRKAG1PRKAA2PRKAB1
SCHEMBL4516734 0.83 APAF1 (0.33) POLBAPAF1GRK2APOBEC3GPRKAG1
Hydrochloric Acid SCHEMBL22534093 0.83 MIF (0.40) RAB9APRKAG1PRKAA2PRKAB1
SCHEMBL4505854 0.83 L3MBTL1 (0.43) POLBRAB9ACYP2C19CYP1A2NPC1
SCHEMBL4516730 0.83 APAF1 (0.33) POLBAPAF1GRK2APOBEC3GPRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995182-B2 1-sulfonyl pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
EP-1299383-B1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2005-01-12 EP disclosed
US-20030212066-A1 1-Sulfonyl pyrrolidine derivatives MUTEL VINCENT (FR) 2003-11-13 US disclosed
US-6589978-B2 Therapy for nervous system disorders HOFFMAN-LA ROCHE INC. 2003-07-08 US disclosed
EP-1299383-A1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-09 EP disclosed
US-20020019424-A1 1-sulfonyl pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 US disclosed
WO-2002002554-A1 SULFONYL-PYRROLIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 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 (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-20030212066-A1 1-Sulfonyl pyrrolidine derivatives GRM1, GRM2, GRIN1 POLB 4277/4885APAF1 2349/4885GRK2 64/4885
US-20020019424-A1 1-sulfonyl pyrrolidine derivatives GRM1, GRM2, GRIN1 POLB 4277/4885APAF1 2349/4885GRK2 64/4885

“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.