SCHEMBL9903609

SCHEMBL9903609

C(#Cc1cnc2nc(N3CCCCC3)sc2c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.56
KCNH2 Q12809 10/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9905489 0.74 HRH3 (0.76) HRH3KCNH2ALDH1A1
SCHEMBL21096638 0.73 HRH3 (0.74) HRH3KCNH2ALDH1A1
SCHEMBL12041349 0.71 HRH3 (1.00) HRH3KCNH2
SCHEMBL21061867 0.71 HRH3 (0.49) HRH3KCNH2KDM4EALDH1A1GLA
SCHEMBL4462960 0.70 ACACB (0.50)
SCHEMBL21061798 0.70 HRH3 (0.70) HRH3KCNH2ALDH1A1
SCHEMBL21061868 0.69 HRH3 (0.47) HRH3KCNH2KDM4EALDH1A1GLA
SCHEMBL12041256 0.67 HRH3 (0.81) HRH3KCNH2
SCHEMBL9902620 0.66 GRM5 (0.45) ALDH1A1
Benzene SCHEMBL9903610 0.66 SMN1; SMN2 (0.48) HRH3KDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-1986701-B1 OPTICAL AGENTS FOR USE IN SURGERY MALLINCKRODT LLC (US) 2012-06-13 EP claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 HRH3 462/4885KCNH2 647/4885KDM4E 1958/4885

“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.