SCHEMBL13601200

SCHEMBL13601200

COc1ccnc(N2CCN(C(=O)c3ccc(C)c(-c4ccccn4)c3)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SLC6A7 Q99884 7/20 0.53
KDM4E B2RXH2 2/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PARP1 P09874 1/20 0.48
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL6655484 0.82 SLC6A7 (0.62) HPGDALDH1A1SLC6A7KDM4EPARP1
SCHEMBL4315496 0.82 ALDH1A1 (0.48) HPGDALDH1A1SLC6A7KDM4EHTT
SCHEMBL13601358 0.81 ALDH1A1 (0.64) HPGDALDH1A1SLC6A7KDM4EABL1
SCHEMBL6653885 0.80 ALDH1A1 (0.79) HPGDALDH1A1SLC6A7KDM4EABL1
SCHEMBL6653746 0.79 ALDH1A1 (0.60) HPGDALDH1A1SLC6A7KDM4EABL1
SCHEMBL6655163 0.79 ALDH1A1 (0.60) HPGDALDH1A1SLC6A7KDM4EPARP1
Hydrochloric Acid SCHEMBL6651521 0.79 ALDH1A1 (0.77) HPGDALDH1A1SLC6A7KDM4EABL1
SCHEMBL6674771 0.78 L3MBTL1 (0.59) HPGDALDH1A1SLC6A7KDM4EHCRTR1
Hypochlorous Acid SCHEMBL6651528 0.78 ALDH1A1 (0.76) HPGDALDH1A1SLC6A7KDM4EABL1
Hydrochloric Acid SCHEMBL6651531 0.78 ALDH1A1 (0.59) HPGDALDH1A1KDM4EABL1BCR

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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 HPGD 2657/4885ALDH1A1 3104/4885SLC6A7 234/4885

“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.