SCHEMBL10040495

SCHEMBL10040495

Fc1ccc(-c2cnn(C3CCNCC3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.59
MET P08581 1/20 0.56
GSK3B P49841 1/20 0.55
DYRK1A Q13627 1/20 0.55
CHRNB2 P17787 4/20 0.54
CHRNA4 P43681 4/20 0.54
MAP4K3 Q8IVH8 1/20 0.53
IRAK4 Q9NWZ3 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP3A5 P20815 2/20 0.51
CYP3A7 P24462 2/20 0.51
CYP2C19 P33261 2/20 0.51
PDK4 Q16654 2/20 0.51
CYP3A43 Q9HB55 2/20 0.51
IRAK1 P51617 1/20 0.51
PIM1 P11309 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
NTRK1 P04629 1/20 0.51

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
SCHEMBL14320710 0.85 PIM1 (0.54) METCHRNB2CHRNA4MAP4K3IRAK4
SCHEMBL15942449 0.85 MAP4K3 (0.58) METCHRNB2CHRNA4MAP4K3IRAK4
SCHEMBL3126749 0.85 ALK (0.59) ALKGSK3BDYRK1ACHRNB2CHRNA4
SCHEMBL24989566 0.84 GSK3B (0.54) ALKMETGSK3BDYRK1ACHRNB2
SCHEMBL2300261 0.84 CHRNB2 (0.66) ALKMETCHRNB2CHRNA4MAP4K3
Hydrochloric Acid SCHEMBL20135201 0.84 ALK (0.58) ALKGSK3BDYRK1ACHRNB2CHRNA4
SCHEMBL14638436 0.81 ALK (0.65) ALKCHRNB2CHRNA4MAP4K3IRAK4
SCHEMBL15324788 0.81 IRAK4 (0.52) ALKGSK3BDYRK1ACHRNB2CHRNA4
SCHEMBL20038308 0.78 IRAK4 (0.58) ALKMETCHRNB2CHRNA4MAP4K3
SCHEMBL6726843 0.78 IRAK4 (0.58) ALKMAP4K3IRAK4IRAK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953940-B1 PIPERIDIN-1-YL AND AZEPIN-1-YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2018-08-22 EP disclosed
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-06-29 US disclosed
US-9593106-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-03-14 US disclosed
US-20150376179-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2015-12-31 US disclosed
CN-105189482-A Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists TAKEDA PHARMACEUTICAL 2015-12-23 CN disclosed
EP-2953940-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-12-16 EP disclosed
WO-2014122474-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 WO disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 EP disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 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 (4 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 ALK 2599/4885MET 4878/4885GSK3B 3616/4885
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists CHRM1, CHRM2, CHRM4 ALK 839/4885MET 1181/4885GSK3B 3803/4885
US-20150376179-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 ALK 839/4885MET 1181/4885GSK3B 3803/4885
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 ALK 839/4885MET 1181/4885GSK3B 3803/4885

“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.