SCHEMBL648469

SCHEMBL648469

CC(C)(C)OC(=O)N1CCC(C#N)(N2CCC(O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
GPR119 Q8TDV5 8/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL650593 0.92 MEN1 (0.39) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL31180103 0.85 HPGD (0.47) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL13697319 0.85 CYP2C9 (0.41) MEN1ALDH1A1KMT2AUSP2EPHX1
SCHEMBL13587115 0.84 USP2 (0.42) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL649663 0.83 ALDH1A1 (0.46) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2398369 0.83 USP2 (0.59) ALDH1A1EPHX2USP2SMN1; SMN2RECQL
SCHEMBL14314342 0.81 EPHX2 (0.42) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL651657 0.81 HPGD (0.44) HPGDMAPTEPHX2USP2SMN1; SMN2
SCHEMBL14314348 0.81 USP2 (0.44) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL14306563 0.80 HPGD (0.43) HPGDMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119661-B2 Piperidine derivatives and their use as muscarinic receptor modulators ASTRAZENECA AB (SE) 2012-02-21 US disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP disclosed
EP-2197843-B1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2011-12-28 EP disclosed
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
EP-2257543-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 AstraZeneca AB (SE) 2010-12-08 EP disclosed
EP-2197843-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS AstraZeneca AB (SE) 2010-06-23 EP disclosed
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
WO-2009034380-A1 PIPERIDINE DERIVATIVES AS AGONISTS OF MUSCARINIC RECEPTORS ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076078-A1 New compounds 966 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 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 (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-20090076078-A1 New compounds 966 OPRM1, OPRL1, OPRK1 HPGD 1119/4885MEN1 2508/4885ALDH1A1 1484/4885
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 HPGD 4337/4885MEN1 4571/4885ALDH1A1 1531/4885
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 CHRM1, CHRM2, CHRM3 HPGD 1840/4885MEN1 1467/4885ALDH1A1 1847/4885

“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.