SCHEMBL3209634

SCHEMBL3209634

Cc1ccccc1C(C)N1Cc2ccccc2N=C1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
CTSD P07339 5/20 0.43
HSD11B1 P28845 1/20 0.38
TRPC5 Q9UL62 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ACHE P22303 5/20 0.33
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL3212700 0.85 SIGMAR1 (0.46) SIGMAR1CTSDHSD11B1NOS3NOS1
SCHEMBL18895799 0.69 SIGMAR1 (0.61) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL3214965 0.68 SIGMAR1 (0.48) SIGMAR1CTSDTRPC5NOS3NOS1
SCHEMBL3215457 0.68 SIGMAR1 (0.48) SIGMAR1CTSDTRPC5NOS3NOS1
SCHEMBL2359240 0.67 SIGMAR1 (0.62) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL13150862 0.65 SIGMAR1 (0.40) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL3200570 0.65 SIGMAR1 (0.44) SIGMAR1CTSDTRPC5NOS3NOS1
SCHEMBL14723909 0.64 SIGMAR1 (0.59) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL28760134 0.63 HSD11B1 (0.48) HSD11B1TRPC5USP2ALDH1A1LMNA
SCHEMBL23018401 0.62 SIGMAR1 (0.41) SIGMAR1CTSDNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885CTSD 3627/4885HSD11B1 1180/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885CTSD 3627/4885HSD11B1 1180/4885

“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.