SCHEMBL4164304

SCHEMBL4164304

OC(CN1CCN(CCc2ccccc2)CC1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
GAA P10253 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 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
Bromide SCHEMBL4173363 0.99 KDM4E (0.53) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4611120 0.94 KDM4E (0.49) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4164330 0.85 KDM4E (0.58) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4611897 0.85 KDM4E (0.51) KDM4EGAA
SCHEMBL4172177 0.85 SLC1A2 (0.48) KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL25218330 0.83 KDM4E (0.58) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL25253155 0.82 HTR2A (0.76) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4167478 0.82 GAA (0.50) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL18390276 0.82 GAA (0.68) KDM4ETSHRGAAMEN1KMT2A
SCHEMBL4474652 0.82 KDM4E (0.74) KDM4EGAAMEN1KMT2AOPRM1

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-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
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 KDM4E 2461/4885CYP1A2 110/4885CYP3A4 60/4885

“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.