SCHEMBL4464468

SCHEMBL4464468

CCN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSP90AA1 P07900 5/20 0.48
HSP90AB1 P08238 5/20 0.48
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MLYCD O95822 1/20 0.45
CYP1A2 P05177 1/20 0.44
BLM P54132 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 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
SCHEMBL1298401 0.88 HSP90AA1 (0.48) HCAR3ALDH1A1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL4394502 0.87 MLYCD (0.49) HCAR3ALDH1A1SMN1; SMN2ITGB1ITGA5
SCHEMBL9188252 0.86 CASP6 (0.57) HCAR3ALDH1A1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL283683 0.84 TSHR (0.62) HCAR3ALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL6648516 0.83 HCAR3 (0.54) HCAR3ALDH1A1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL3585691 0.83 LMNA (0.56) HCAR3ALDH1A1SMN1; SMN2ITGB1ITGA5
SCHEMBL5095907 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ITGB1ITGA5HIF1A
SCHEMBL14314759 0.81 TSHR (0.62) HCAR3ALDH1A1SMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL2249184 0.80 ITGB1 (0.53) HCAR3ALDH1A1SMN1; SMN2ITGB1ITGA5
SCHEMBL15989292 0.80 HCAR3 (0.50) HCAR3ALDH1A1SMN1; SMN2HSP90AA1HSP90AB1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021018699-A1 CANNABINOID RECEPTOR SUBTYPE 2 STIMULATOR INHIBITING ACETYLCHOLINESTERASE AND BUTYRYLCHOLINESTERASE JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2021-02-04 WO disclosed
EP-3771713-A1 CANNABINOID RECEPTOR SUBTYPE 2 STIMULATOR INHIBITING ACETYLCHOLINESTERASE AND BUTYRYLCHOLINESTERASE Julius-Maximilians-Universität Würzburg (DE) 2021-02-03 EP disclosed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
EP-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
CN-1250531-C Novel compounds ASTRAZENECA AB (SE) 2006-04-12 CN disclosed
EP-1636193-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
US-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-04-28 US disclosed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
CN-1511151-A 3-quinoline-2-(1H)-ylideneindolin-2-one derivatives ֮����ҩ��ʽ���� 2004-07-07 CN disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US disclosed
CN-1503787-A Novel compounds 2004-06-09 CN disclosed
EP-1396490-A1 3-QUINOLINE-2-(1H)-YLIDENEINDOLIN-2-ONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 EP disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRL1 HCAR3 229/4885ALDH1A1 1372/4885SMN1; SMN2 3385/4885
US-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative KDR, FLT4, FLT1 HCAR3 1793/4885ALDH1A1 1986/4885SMN1; SMN2 4586/4885

“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.