SCHEMBL7989533

SCHEMBL7989533

CC(C)(N)c1ccc(CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
PDE2A O00408 1/20 0.46
LOXL2 Q9Y4K0 5/20 0.46
MAOB P27338 1/20 0.44
ABAT P80404 1/20 0.44
TAAR1 Q96RJ0 2/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KIF11 P52732 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
PSIP1 O75475 1/20 0.40
LTA4H P09960 1/20 0.39
HDAC3 O15379 1/20 0.39

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
Hydrochloric Acid SCHEMBL6433558 0.98 MAOB (0.47) HRH3PDE2ALOXL2MAOBABAT
SCHEMBL11653 0.82 HRH3 (0.50) HRH3LOXL2ABATTAAR1KIF11
SCHEMBL7875335 0.81 TAAR1 (0.65) LOXL2MAOBTAAR1SLC6A2HTR2A
SCHEMBL1706121 0.81 PDE2A (0.62) PDE2ATAAR1SLC6A2HTR2ASLC6A4
SCHEMBL12044715 0.80 PDE2A (0.46) PDE2ATAAR1SLC6A2HTR2ASLC6A4
Iodide SCHEMBL21192808 0.80 HRH3 (0.48) HRH3LOXL2ABATTAAR1KIF11
Bromide SCHEMBL29220646 0.80 HRH3 (0.48) HRH3LOXL2ABATTAAR1KIF11
SCHEMBL23352980 0.78 HRH3 (0.46) HRH3LOXL2MAOBABATTAAR1
SCHEMBL20767068 0.78 LOXL2 (0.48) HRH3LOXL2MAOBABATTAAR1
SCHEMBL14012098 0.78 PDE2A (0.45) PDE2ATAAR1SLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906654-B2 (S)(-)-2-(7-chloro-6-fluoro-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)phenyl]ethyl}acetamide; treatment of pain; vanilloid receptor inhibitor; Antagonists maintain analgesic properties, but avoid pungency and neurotoxicity side effects of agonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
WO-2010033824-A1 SULFONAMIDE DERIVATIVES AS INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-03-25 WO disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA HRH3 1755/4885PDE2A 714/4885LOXL2 3936/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA HRH3 1572/4885PDE2A 665/4885LOXL2 3857/4885

“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.