SCHEMBL3733802

SCHEMBL3733802

C1=Cc2ccccc2NN=C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
AXL P30530 1/20 0.32
CYP3A4 P08684 1/20 0.31
IDO1 P14902 1/20 0.31
ALOX15 P16050 1/20 0.30

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
Chloromethane SCHEMBL28762414 0.95 GAA (0.41) GAAMAPTSMN1; SMN2LMNA
SCHEMBL11880108 0.83 CYP2A6 (0.42) GAAMAPTSMN1; SMN2LMNACYP3A4
SCHEMBL29441880 0.80 CYP2A6 (0.39) GAAMAPTCYP3A4
SCHEMBL6205421 0.80 MAPT (0.40) MAPTLMNAIDO1
SCHEMBL11823190 0.75 NPC1 (0.46) GAAMAPTSMN1; SMN2LMNAALOX15
SCHEMBL8903854 0.74 HDAC2 (0.35) MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL30839912 0.74 RAB9A (0.41) GAAMAPTSMN1; SMN2LMNACYP3A4
SCHEMBL30120908 0.73 GAA (0.34) GAAMAPT
SCHEMBL6370621 0.73 GAA (0.37) GAAMAPTSMN1; SMN2ALOX15
SCHEMBL6697803 0.73 NISCH (0.43) GAAMAPTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US claimed
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US claimed
CN-1964713-A Co-use of dopamine-receptor binding compounds DARPHARMA INC (US) 2007-05-16 CN claimed
EP-1699450-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS Darpharma, INC. (US) 2006-09-13 EP claimed
WO-2006012640-A2 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA, INC. (US) 2006-02-02 WO claimed
WO-2005062894-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS DARPHARMA, INC. (US) 2005-07-14 WO claimed
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
WO-2006012640-A3 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA INC (US) 2009-04-16 WO disclosed
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists DARPHARMA, INC. (US) 2007-11-01 US disclosed
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US disclosed
CN-1964713-A Co-use of dopamine-receptor binding compounds DARPHARMA INC (US) 2007-05-16 CN disclosed
EP-1699450-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS Darpharma, INC. (US) 2006-09-13 EP disclosed
WO-2006012640-A2 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA, INC. (US) 2006-02-02 WO disclosed
WO-2006012640-A2 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA, INC. (US) 2006-02-02 WO disclosed
WO-2005062894-A2 CO-ADMINISTRATION OF DOPAMINE-RECEPTOR BINDING COMPOUNDS DARPHARMA, INC. (US) 2005-07-14 WO disclosed
CN-1501935-A Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators 2004-06-02 CN 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 (3 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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 GAA 1590/4885MAPT 456/4885SMN1; SMN2 1094/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 GAA 1737/4885MAPT 2948/4885SMN1; SMN2 3945/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 GAA 1561/4885MAPT 453/4885SMN1; SMN2 1107/4885

“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.