SCHEMBL4183633

SCHEMBL4183633

O=C(Cc1cccnc1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
HTR1A P08908 2/20 0.60
DRD2 P14416 2/20 0.60
FNTA P49354 1/20 0.58
FNTB P49356 1/20 0.58
ALOX15 P16050 1/20 0.58
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KCNH2 Q12809 1/20 0.56
HSD11B1 P28845 1/20 0.53
SIGMAR1 Q99720 3/20 0.53
P2RX7 Q99572 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL4176971 0.89 TSHR (0.64) KDM4EALDH1A1HTR1ADRD2ALOX15
SCHEMBL4173376 0.87 NOS3 (0.61) KDM4EALDH1A1HTR1ADRD2FNTA
SCHEMBL12120397 0.86 ALDH1A1 (0.64) KDM4EALDH1A1FNTAFNTBALOX15
SCHEMBL4176969 0.85 DRD2 (0.60) KDM4EALDH1A1HTR1ADRD2ALOX15
SCHEMBL5718112 0.84 ALDH1A1 (0.67) KDM4EALDH1A1FNTAFNTBMEN1
SCHEMBL4168265 0.83 SLC6A3 (0.59) HTR1ADRD2SIGMAR1
SCHEMBL18389960 0.83 HSD11B1 (0.69) KDM4EALDH1A1FNTAFNTBMEN1
SCHEMBL13621174 0.82 FNTA (0.64) KDM4EALDH1A1FNTAFNTBMEN1
SCHEMBL4836752 0.82 KDM4E (0.54) KDM4EALDH1A1HTR1ADRD2ALOX15
Bromide SCHEMBL4171916 0.82 SLC6A3 (0.58) HTR1ADRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018118-A1 HETEROCYCLIC COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2009-01-15 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-20090018118-A1 HETEROCYCLIC COMPOUNDS CYP51A1, DHCR7, LSS KDM4E 2461/4885ALDH1A1 3225/4885HTR1A 2221/4885

“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.