SCHEMBL3286924

SCHEMBL3286924

Cc1ccc(NC(=O)CCN2CC3CNCC3C2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
LMNA P02545 6/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL3281859 0.83 CCR5 (0.52) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4692445 0.82 TP53 (0.48) TP53LMNAALDH1A1KMT2AMAPT
SCHEMBL4690401 0.81 TP53 (0.47) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4691017 0.81 TP53 (0.47) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4694331 0.81 TP53 (0.47) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4695190 0.81 TP53 (0.47) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4693095 0.81 TP53 (0.45) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4695934 0.80 HCRTR1 (0.47) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4695971 0.80 LMNA (0.50) TP53LMNAHPGDALDH1A1KMT2A
SCHEMBL4692884 0.80 LMNA (0.48) TP53LMNAHPGDALDH1A1KMT2A

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-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 TP53 4359/4885LMNA 4348/4885HPGD 559/4885

“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.