SCHEMBL3076792

SCHEMBL3076792

COc1cc(N2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL3063383 0.93 TP53 (0.55) TP53SMN1; SMN2
SCHEMBL3057711 0.90 SMN1; SMN2 (0.59) TP53SMN1; SMN2
SCHEMBL14615596 0.87 CCR1 (0.57) TP53
SCHEMBL3069840 0.83 CCR1 (0.55)
SCHEMBL3070719 0.82 CCR1 (0.55)
SCHEMBL13779978 0.81 MEN1 (0.66) TP53MAPTUSP2HTT
SCHEMBL13140295 0.75 CCR1 (0.60)
SCHEMBL13140304 0.75 CCR1 (0.55)
SCHEMBL3076604 0.75 MEN1 (0.57)
SCHEMBL3076768 0.75 MEN1 (0.63) TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
EP-1931348-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-06-18 EP disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 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 (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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 TP53 4075/4885SMN1; SMN2 1719/4885MAPT 3597/4885

“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.