SCHEMBL4167478

SCHEMBL4167478

Cc1ccc(C(O)CN2CCN(CCc3ccccc3)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KDM4E B2RXH2 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
IGF1R P08069 1/20 0.47
HTT P42858 1/20 0.46
CYP2C9 P11712 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A3 Q01959 1/20 0.43
PKM P14618 1/20 0.43

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
Bromide SCHEMBL4173384 0.99 GAA (0.49) GAAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4164304 0.82 KDM4E (0.55) GAAKDM4ECYP1A2CYP3A4CYP2D6
Bromide SCHEMBL4173363 0.81 KDM4E (0.53) GAAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4164330 0.78 KDM4E (0.58) GAAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4611120 0.78 KDM4E (0.49) GAAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4168502 0.76 KDM4E (0.52) GAAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL20493526 0.74 ALDH1A1 (0.41) KDM4ENPSR1PKM
SCHEMBL4611897 0.74 KDM4E (0.51) GAAKDM4E
SCHEMBL4172177 0.70 SLC1A2 (0.48) KDM4ESLC6A3
SCHEMBL13150782 0.70 SLC6A3 (0.83) MAPTNPSR1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US claimed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 US disclosed
EP-1981849-A1 HETEROCYCLIC COMPOUNDS LEK Pharmaceuticals D.D. (SI) 2008-10-22 EP disclosed
WO-2007073935-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2007-07-05 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-20090018118-A1 HETEROCYCLIC COMPOUNDS CYP51A1, DHCR7, LSS GAA 1881/4885KDM4E 2461/4885CYP1A2 110/4885

“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.