SCHEMBL3222976

SCHEMBL3222976

CCc1ccccc1CN1Cc2ccccc2N=C1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSD P07339 8/20 0.48
SIGMAR1 Q99720 1/20 0.48
CCR3 P51677 2/20 0.43
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
BACE1 P56817 2/20 0.35
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
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
BACE2 Q9Y5Z0 1/20 0.33

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
SCHEMBL3214965 0.86 SIGMAR1 (0.48) CTSDSIGMAR1NOS3NOS1NOS2
SCHEMBL3197204 0.85 CTSD (0.45) CTSDSIGMAR1CCR3NOS3NOS1
SCHEMBL3217215 0.83 SIGMAR1 (0.48) CTSDSIGMAR1MEN1USP2ALDH1A1
SCHEMBL3221511 0.83 SIGMAR1 (0.48) CTSDSIGMAR1NOS3NOS1NOS2
SCHEMBL3215576 0.82 SIGMAR1 (0.44) CTSDSIGMAR1MEN1USP2ALDH1A1
SCHEMBL3200570 0.82 SIGMAR1 (0.44) CTSDSIGMAR1CCR3NOS3NOS1
Hydrochloric Acid SCHEMBL3210300 0.81 SIGMAR1 (0.43) CTSDSIGMAR1MEN1USP2ALDH1A1
SCHEMBL3208472 0.81 SIGMAR1 (0.43) CTSDSIGMAR1BACE1ALDH1A1LMNA
SCHEMBL3221104 0.79 SIGMAR1 (0.57) CTSDSIGMAR1NOS3NOS1NOS2
SCHEMBL4718285 0.78 CA2 (0.45) CTSDSIGMAR1BACE1ACHEBCHE

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 CTSD 3627/4885SIGMAR1 279/4885CCR3 2954/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C CTSD 3627/4885SIGMAR1 279/4885CCR3 2954/4885

“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.