SCHEMBL4176971

SCHEMBL4176971

O=C(CCc1cccnc1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALOX15 P16050 1/20 0.57
SIGMAR1 Q99720 2/20 0.56
C3AR1 Q16581 4/20 0.56
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.54
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
APP P05067 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
SCHEMBL4183633 0.89 KDM4E (0.70) TSHRALDH1A1KDM4EALOX15SIGMAR1
SCHEMBL4168265 0.85 SLC6A3 (0.59) SIGMAR1HTR1ADRD2
SCHEMBL14218061 0.85 MEN1 (0.56) TSHRALDH1A1KDM4EC3AR1MEN1
SCHEMBL1312749 0.84 CHRM1 (0.57) C3AR1NPC1TDP1MEN1KMT2A
Bromide SCHEMBL4171916 0.84 SLC6A3 (0.58) SIGMAR1HTR1ADRD2
SCHEMBL4836752 0.83 KDM4E (0.54) ALDH1A1KDM4EALOX15C3AR1MEN1
SCHEMBL10305181 0.83 NPC1 (0.67) C3AR1NPC1TDP1
SCHEMBL20353683 0.82 C3AR1 (0.55) ALDH1A1KDM4EC3AR1NPC1TDP1
SCHEMBL4378680 0.81 NPC1 (0.62) TSHRALDH1A1KDM4EC3AR1NPC1
SCHEMBL12509185 0.81 FAAH (0.54) ALDH1A1C3AR1NPC1TDP1HTR1A

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 TSHR 2350/4885ALDH1A1 3225/4885KDM4E 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.