SCHEMBL954528

SCHEMBL954528

CC(C)(C)NC(=O)O[C@H]1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.35
DPP4 P27487 2/20 0.34
CCNE1 P24864 5/20 0.33
CDK2 P24941 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3B P49841 3/20 0.33
HSP90AB1 P08238 2/20 0.33
TOP2A P11388 2/20 0.33
SSTR4 P31391 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1441784 1.00 CHRM3 (0.35) CHRM3DPP4CCNE1CDK2L3MBTL1
SCHEMBL954529 1.00 CHRM3 (0.35) CHRM3DPP4CCNE1CDK2L3MBTL1
Hydrochloric Acid SCHEMBL28057619 0.98 DPP4 (0.35) CHRM3DPP4CCNE1CDK2L3MBTL1
Methane SCHEMBL27926432 0.98 CHRM3 (0.34) CHRM3DPP4CCNE1CDK2L3MBTL1
Bicarbonate SCHEMBL1532914 0.97 CHRM3 (0.36) CHRM3DPP4CCNE1CDK2L3MBTL1
SCHEMBL17513413 0.90 SLC6A1 (0.37) DPP4CCNE1CDK2L3MBTL1GSK3B
SCHEMBL740082 0.90 SLC6A1 (0.37) DPP4CCNE1CDK2L3MBTL1GSK3B
SCHEMBL3698542 0.90 SLC6A1 (0.37) DPP4CCNE1CDK2L3MBTL1GSK3B
SCHEMBL854419 0.89 CHRM3 (0.42) CHRM3DPP4CCNE1CDK2GSK3B
SCHEMBL28493616 0.89 EPHX1 (0.39) DPP4CCNE1CDK2L3MBTL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF YA THERAPEUTICS INC (CN) 2024-06-13 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
US-11059825-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US disclosed
US-20200095251-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2020-03-26 US disclosed
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-10287292-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2019-05-14 US disclosed
US-20180354960-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-12-13 US disclosed
EP-3100723-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
EP-2442644-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2016-08-10 EP disclosed
US-20160145259-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2016-05-26 US disclosed
US-9169261-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2015-10-27 US disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 US disclosed
EP-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 US disclosed
EP-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US disclosed
WO-2010147653-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2010-12-23 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 (12 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-10287292-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 CHRM3 4741/4885DPP4 2612/4885CCNE1 3168/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA CHRM3 1561/4885DPP4 4657/4885CCNE1 1630/4885
US-20180354960-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF KDM1B, HDAC1, DOT1L CHRM3 4706/4885DPP4 3091/4885CCNE1 3262/4885
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 CHRM3 401/4885DPP4 3807/4885CCNE1 1065/4885
US-11059825-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF BTK, SYK, LYN CHRM3 4307/4885DPP4 3288/4885CCNE1 2145/4885
US-20160145259-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-20200095251-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-20140154179-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885

“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.