SCHEMBL7973575

SCHEMBL7973575

OCCCNCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
SLC2A4 P14672 1/20 0.47
MAOA P21397 1/20 0.45
CHRM2 P08172 2/20 0.44
GLA P06280 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6831037 0.88 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6266714 0.86 SMN1; SMN2 (0.53) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL1659835 0.85 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E
Hydrochloric Acid SCHEMBL3668846 0.83 MEN1 (0.65) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL29444840 0.83 MEN1 (0.56) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2566281 0.82 SIGMAR1 (0.47) ALDH1A1
SCHEMBL21591483 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL7992413 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL10734543 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL3266830 0.80 HRH4 (0.58) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
EP-1457488-B1 Intermediates for use in the preparation of urea compounds having muscarinic receptor antagonist activity THERAVANCE INC (US) 2009-08-12 EP disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-7238709-B2 Therapeutic carbamates THERAVANCE, INC. (US) 2007-07-03 US disclosed
US-7238709-B2 Therapeutic carbamates THERAVANCE, INC. (US) 2007-07-03 US disclosed
CN-1365277-A Methods of treating chronic pain using MEK inhibitors VARNER LAMBERT CO (US) 2002-08-21 CN disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 ALDH1A1 2335/4885MEN1 3774/4885KMT2A 1220/4885

“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.