SCHEMBL1171348

SCHEMBL1171348

[CH]1CCN(c2cccnc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.61
CHRNA4 P43681 8/20 0.61
CHRNA7 P36544 2/20 0.49
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL4076888 0.89 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL11544331 0.83 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL161236 0.83 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL29959593 0.83 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30241909 0.82 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1462348 0.82 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30241910 0.82 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5109 0.80 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL732444 0.78 CHRNB2 (0.59) CHRNB2CHRNA4
SCHEMBL3538787 0.78 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN claimed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 CN claimed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN claimed
CN-103347385-A Diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME 2013-10-09 CN claimed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US claimed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US claimed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN disclosed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 CN disclosed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN disclosed
CN-109952300-A As indoleamine 2, imidazo [1,5-a] pyridine of the novel 5 or 8- substitution of 3- dioxygenase enzyme and/or tryptophan 2,3- dioxygenase enzyme selectivity inhibitor 百济神州有限公司 2019-06-28 CN disclosed
CN-108473495-A Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2018-08-31 CN disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US disclosed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CHRNB2 16/4885CHRNA4 14/4885CHRNA7 17/4885
US-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 CHRNB2 279/4885CHRNA4 207/4885CHRNA7 203/4885
US-20060287303-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CHRNB2 16/4885CHRNA4 14/4885CHRNA7 17/4885

“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.