SCHEMBL3069424

SCHEMBL3069424

CC(C)(C)OC(=O)N1C2CCC1CC(NCc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.51
CHRM2 P08172 1/20 0.51
CHRM3 P20309 1/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
GAA P10253 1/20 0.46
STS P08842 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3604680 1.00 CHRM1 (0.51) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL10077625 1.00 CHRM1 (0.51) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL21794034 1.00 CHRM1 (0.51) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL16876696 0.86 KMT2A (0.44) KMT2AL3MBTL1STSGPR119KEAP1
SCHEMBL3041968 0.86 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRM4CHRM5
SCHEMBL757682 0.84 CETP (0.51) KMT2AL3MBTL1STSGPR119KEAP1
SCHEMBL9885647 0.84 CETP (0.51) KMT2AL3MBTL1STSGPR119KEAP1
SCHEMBL757683 0.84 CETP (0.51) KMT2AL3MBTL1STSGPR119KEAP1
SCHEMBL1154130 0.83 KMT2A (0.55) CHRM1CHRM2CHRM3KMT2AL3MBTL1
SCHEMBL12668799 0.82 KMT2A (0.56) CHRM1CHRM2CHRM3KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP claimed
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 US disclosed
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-7790740-B2 Imidazopyridine substituted tropane derivatives with CCR5 receptor antagonist activity for the treatment of HIV and inflammation PFIZER INC (US) 2010-09-07 US disclosed
US-7790740-B2 Imidazopyridine substituted tropane derivatives with CCR5 receptor antagonist activity for the treatment of HIV and inflammation PFIZER INC (US) 2010-09-07 US disclosed
US-7790740-B2 Imidazopyridine substituted tropane derivatives with CCR5 receptor antagonist activity for the treatment of HIV and inflammation PFIZER INC (US) 2010-09-07 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1492789-B1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2006-06-07 EP disclosed
EP-0937069-B1 PIPERAZINO DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2006-05-03 EP disclosed
US-20050131011-A1 Chemical compounds PFIZER, INC. 2005-06-16 US disclosed
US-20050107424-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-6855724-B2 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-20040014742-A1 Antiinflammatory agents; viricides PFIZER INC. 2004-01-22 US disclosed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP disclosed
US-6051575-A RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 2000-04-18 US disclosed
US-5968929-A USEFUL IN THE TREATMENT OF CHRONIC AIRWAY DISEASES SUCH AS ASTHMA SCHERING CORPORATION (US) 1999-10-19 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 (6 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 CHRM1 324/4885CHRM2 296/4885CHRM3 138/4885
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 CHRM1 568/4885CHRM2 685/4885CHRM3 251/4885
US-20040014742-A1 Antiinflammatory agents; viricides CCR5, CXCR1, CCR1 CHRM1 251/4885CHRM2 422/4885CHRM3 464/4885
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, JAK2 CHRM1 2596/4885CHRM2 2818/4885CHRM3 1201/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CHRM1 53/4885CHRM2 50/4885CHRM3 55/4885
US-20050131011-A1 Chemical compounds CCR5, CCR2, CX3CR1 CHRM1 392/4885CHRM2 417/4885CHRM3 502/4885

“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.