SCHEMBL14072145

SCHEMBL14072145

C=C1COc2ccc(CN)cc2N1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KLKB1 P03952 1/20 0.31
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.31
PARP1 P09874 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL8201340 0.82 PDE3B (0.48) HTR1ADRD2HTR2AHTR1DHTR1B
SCHEMBL13757104 0.78 TSHR (0.44) ALDH1A1GAATP53POLBCYP1A2
SCHEMBL14072146 0.76 CA12 (0.33) CD274
SCHEMBL26504063 0.73 CD274 (0.41) CD274LMNAMAPTKMT2A
SCHEMBL19624195 0.72 HSD17B3 (0.42) ALDH1A1HTTKDM4EMEN1LMNA
SCHEMBL13164143 0.71 HTT (0.48) HTR1AHTR1DHTR1BSLC6A4ALDH1A1
SCHEMBL8199089 0.71 PRKCQ (0.30)
SCHEMBL14078817 0.70 CYP1A2 (0.30) CYP1A2CYP3A4MAPT
SCHEMBL13164150 0.70 HTR1A (0.42) HTR1AHTR1DHTR1BALDH1A1TP53
SCHEMBL14079266 0.70 CYP1A2 (0.35) NSD2CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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 (2 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 HTR1A 1496/4885DRD2 4464/4885HTR2A 1299/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 HTR1A 2191/4885DRD2 3618/4885HTR2A 1294/4885

“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.