SCHEMBL5092011

SCHEMBL5092011

CC(C)CCNc1ccc(C(=O)N(CC(F)(F)F)CC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.50
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
THRB P10828 1/20 0.45
PRSS1 P07477 3/20 0.45
KMT2A Q03164 2/20 0.44
PTGER4 P35408 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5591690 0.88 HCAR3 (0.56) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL14457839 0.83 MAPT (0.53) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL5104664 0.82 PTGER4 (0.43) MAPTALDH1A1THRBPRSS1PTGER4
SCHEMBL7230677 0.81 HCAR3 (0.59) HCAR3MAPTALDH1A1PKMRAB9A
SCHEMBL5095799 0.79 HCAR3 (0.48) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL14459959 0.78 TSHR (0.56) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL5095726 0.77 POLB (0.46) HCAR3MAPTALDH1A1PKMCRHBP
SCHEMBL5095722 0.77 HCAR3 (0.49) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL5095713 0.77 HCAR3 (0.49) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL5104752 0.77 MAPT (0.48) HCAR3MAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407968-B2 Compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-7407968-B2 Compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-7407968-B2 Compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
WO-2007091950-A1 BENZIMIDAZOLES AND IMIDAZOPYRIDINES USEFUL IN THE TREATMENT OF DISEASES OR DISORDERS ASSOCIATED WITH CANNABINOID RECEPTOR 2 (CB2) SUCH AS PAIN ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
US-20070105893-A1 Novel Compounds ASTRAZENECA AB R&D HEADQUARTERS GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2007-05-10 US disclosed
US-20070105893-A1 Novel Compounds ASTRAZENECA AB R&D HEADQUARTERS GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2007-05-10 US disclosed
US-20070105893-A1 Novel Compounds ASTRAZENECA AB R&D HEADQUARTERS GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2007-05-10 US disclosed
EP-1554254-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004035548-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-04-29 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 (1 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-20070105893-A1 Novel Compounds CNR1, CNR2, OPRL1 HCAR3 424/4885MAPT 2943/4885ALDH1A1 2405/4885

“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.