SCHEMBL13601344

SCHEMBL13601344

O=C(c1ccc(F)c(-c2ccccn2)c1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 9/20 0.67
KDM4E B2RXH2 5/20 0.64
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 4/20 0.58
TSHR P16473 1/20 0.57
RECQL P46063 1/20 0.56
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 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
SCHEMBL13601358 0.83 ALDH1A1 (0.64) SLC6A7KDM4EALDH1A1TSHRRECQL
SCHEMBL3574729 0.80 SLC6A7 (1.00) SLC6A7KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL13117434 0.80 HPGD (0.60) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3582408 0.78 SLC6A7 (0.74) SLC6A7KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL4317911 0.78 L3MBTL1 (0.57) SLC6A7KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL3579391 0.76 L3MBTL1 (0.65) SLC6A7KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL13601231 0.76 ALDH1A1 (0.69) SLC6A7KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL3585866 0.76 SLC6A7 (0.76) SLC6A7KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL3583409 0.76 SLC6A7 (0.72) SLC6A7KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL13117437 0.76 KDM4C (0.59) KDM4E

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 SLC6A7 234/4885KDM4E 1411/4885L3MBTL1 4431/4885

“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.