SCHEMBL4176969

SCHEMBL4176969

O=C(Cc1cccnc1)CN1CCN(CCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
HTR1A P08908 4/20 0.60
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
NAPRT Q6XQN6 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 1/20 0.49
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL4183633 0.85 KDM4E (0.70) DRD2HTR1AKDM4EALDH1A1ALOX15
SCHEMBL4168265 0.83 SLC6A3 (0.59) DRD2HTR1ASLC6A3DRD4SIGMAR1
Bromide SCHEMBL4171916 0.82 SLC6A3 (0.58) DRD2HTR1ASLC6A3DRD4SIGMAR1
SCHEMBL4166707 0.79 CHRNB2 (0.66) KDM4EALDH1A1
SCHEMBL4176971 0.79 TSHR (0.64) DRD2HTR1AKDM4EALDH1A1ALOX15
SCHEMBL4169559 0.78 SIGMAR1 (0.67) KDM4EALDH1A1ALOX15SIGMAR1
Bromide SCHEMBL4166152 0.78 CHRNB2 (0.64) KDM4EALDH1A1
SCHEMBL4377443 0.78 TRPV6 (0.52) KDM4EALDH1A1NAPRTMEN1KMT2A
Bromide SCHEMBL4174825 0.77 SIGMAR1 (0.65) KDM4EALDH1A1ALOX15SIGMAR1
SCHEMBL27138554 0.76 MEN1 (0.64) DRD2HTR1ASLC6A3MEN1KMT2A

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 DRD2 3241/4885HTR1A 2221/4885KDM4E 2461/4885

“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.