SCHEMBL4131831

SCHEMBL4131831

OC(Cc1ccccc1)N1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.63
SLC6A2 P23975 11/20 0.63
SLC6A3 Q01959 4/20 0.59
SIGMAR1 Q99720 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3977327 0.94 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL583721 0.83 CYP1A2 (0.58) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL5442144 0.81 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL6064058 0.81 CYP1A2 (0.61) SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL8017800 0.81 CYP1A2 (0.56) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL28792545 0.80 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL27751270 0.79 CYP2D6 (0.49) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL10454919 0.79 KCNA5 (0.49) SIGMAR1MEN1KMT2A
SCHEMBL6618701 0.79 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1
SCHEMBL8773823 0.79 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
EP-2137179-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2009-12-30 EP disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 US disclosed
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA SLC6A4 4582/4885SLC6A2 4734/4885SLC6A3 4848/4885

“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.