SCHEMBL3103957

SCHEMBL3103957

Cc1cnccc1-c1ccc(C(=O)NC2CCc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 1/20 0.55
ROCK2 O75116 1/20 0.52
CYP46A1 Q9Y6A2 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
HTT P42858 1/20 0.51
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TAS1R2 Q8TE23 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3093230 0.94 ALDH1A1 (0.65) ALDH1A1TSHRHTTTAS1R3TAS1R1
SCHEMBL3112168 0.84 HTT (0.60) ALDH1A1TSHRROCK2PDE4APDE4B
SCHEMBL5969951 0.79 NPC1 (0.70) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8160654 0.79 HTT (0.70) ALDH1A1TSHRPDE4APDE4BPDE4C
SCHEMBL3112685 0.78 HTT (0.72) ALDH1A1TSHRROCK2HTTTAS1R3
SCHEMBL3093029 0.77 ROCK2 (0.55) ALDH1A1TSHRROCK2PDE4APDE4B
SCHEMBL14009837 0.77 PDE4A (0.52) ALDH1A1TSHRROCK2PDE4APDE4B
SCHEMBL14082491 0.76 ALDH1A1 (0.77) ALDH1A1TSHRHTTTAS1R3TAS1R1
SCHEMBL2465110 0.76 HTT (0.83) ALDH1A1TSHRPDE4APDE4BPDE4C
SCHEMBL29742388 0.76 HTT (0.83) ALDH1A1TSHRPDE4APDE4BPDE4C

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
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND (DE) 2015-04-16 US disclosed
US-8895749-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2014-11-25 US disclosed
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE INC. (US) 2013-11-21 US disclosed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 US disclosed
EP-2193119-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS Abbott GmbH & Co. KG (DE) 2010-06-09 EP disclosed
WO-2009027392-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBOTT GMBH & CO. KG (DE) 2009-03-05 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 (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-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ALDH1A1 4150/4885TSHR 209/4885ROCK2 3/4885
US-20150105386-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ALDH1A1 4155/4885TSHR 202/4885ROCK2 3/4885
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS GABRR3, ROCK1, ROCK2 ALDH1A1 4150/4885TSHR 209/4885ROCK2 3/4885

“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.