SCHEMBL3283550

SCHEMBL3283550

Cc1ccc(C(=O)NCCCN2CC3CN(S(=O)(=O)c4ccc(F)cc4Cl)CC3C2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
USP5 P45974 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
EPHX2 P34913 1/20 0.43
MAPK14 Q16539 2/20 0.43
HTR7 P34969 1/20 0.43
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL4694433 0.85 P2RX7 (0.45) SMN1; SMN2LMNAKMT2AKDM4EHSD17B10
SCHEMBL3283552 0.84 CCR1 (0.42) SMN1; SMN2NPC1TP53MAPTEPHX2
SCHEMBL4696047 0.79 FPR2 (0.47) SMN1; SMN2LMNANPC1KMT2AKDM4E
SCHEMBL4694263 0.79 SLC6A2 (0.51) KMT2AKDM4EHSD17B10MAPTRAB9A
SCHEMBL4689473 0.79 NAMPT (0.41) SMN1; SMN2LMNAKMT2AKDM4EHSD17B10
SCHEMBL4693309 0.78 LMNA (0.43) SMN1; SMN2LMNANPC1KMT2AMAPT
SCHEMBL4695321 0.78 TSHR (0.43) SMN1; SMN2LMNAMAPTMAPK14HTR7
SCHEMBL4692216 0.78 SLC6A2 (0.43) SMN1; SMN2LMNAKDM4EMAPK14
SCHEMBL4695512 0.78 LMNA (0.41) SMN1; SMN2LMNAKMT2AMAPK14
SCHEMBL4691639 0.77 SMYD2 (0.48) SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 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 (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-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 SMN1; SMN2 4305/4885LMNA 4348/4885TDP1 3802/4885

“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.