SCHEMBL4417155

SCHEMBL4417155

O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2cnccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.65
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
NAMPT P43490 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
SCHEMBL4425017 0.91 SLC6A7 (0.56) SLC6A7ALDH1A1HPGD
SCHEMBL4415437 0.90 SLC6A7 (0.64) SLC6A7NAMPT
SCHEMBL4319854 0.89 SLC6A7 (0.62) SLC6A7NAMPT
SCHEMBL4321986 0.87 MEN1 (0.69) SLC6A7MEN1KMT2AALDH1A1HPGD
SCHEMBL11080932 0.86 SLC6A7 (0.85) SLC6A7MEN1KMT2AALDH1A1NAMPT
SCHEMBL4415931 0.86 SLC6A7 (0.61) SLC6A7ALDH1A1NAMPT
SCHEMBL4419055 0.85 SLC6A7 (0.58) SLC6A7
SCHEMBL4428085 0.85 ALDH1A1 (0.62) MEN1KMT2AALDH1A1HPGD
SCHEMBL4415241 0.83 HPGD (0.64) MEN1KMT2AHPGD
SCHEMBL4419169 0.81 TSHR (0.63) ALDH1A1

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
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed
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 234/4885MEN1 4398/4885KMT2A 887/4885

“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.