SCHEMBL3952133

SCHEMBL3952133

CCOC(=O)CCC1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
NAAA Q02083 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ROCK2 O75116 1/20 0.39
ACP1 P24666 2/20 0.38
KLK7 P49862 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 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
SCHEMBL7684160 1.00 KMT2A (0.50) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1410339 0.90 SLC6A1 (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4523217 0.84 SLC6A1 (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2446601 0.84 SLC6A1 (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL567871 0.84 SLC6A1 (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1037020 0.84 KMT2A (0.52) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24393166 0.83 ALDH1A1 (0.43) KMT2ATDP1ALDH1A1USP2ALOX15
Hydrochloric Acid SCHEMBL27859719 0.83 KMT2A (0.51) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL6958695 0.83 EPHX1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL31041002 0.83 EPHX1 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 US disclosed
US-6399631-B1 3-AMIDO OR 3-SULFONAMIDO; EATING DISORDERS IN HUMANS, DOGS AND CATS PFIZER INC. 2002-06-04 US disclosed
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
WO-2001058871-A1 PIPERIDYL CARBOXYLIC ACIDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-16 WO disclosed
WO-1999000367-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO disclosed
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
US-5776931-A TREATING PHYSIOLOGICAL DISORDER ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y ELI LILLY AND COMPANY (US) 1998-07-07 US disclosed
CN-1173867-A Indolyl neuropeptide Y receptor antagonists LILLY CO ELI (US) 1998-02-18 CN disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed
EP-0450429-A1 Cyclophanes, process for their preparation and pharmaceuticals containing them Dr. Karl Thomae GmbH (DE) 1991-10-09 EP disclosed
US-4402961-A Derivatives of 1-(2-,3- or 4-quinolyl)-2- or -3-(2- or 3-piperidyl or -pyrrolidinyl) ethanone or propanone, and their utilization as antiarrhythmics, anticonvulsivants and for the treatment of anxiety PHARMINDUSTRIE (FR) 1983-09-06 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 (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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 KMT2A 4753/4885CHRNB2 1502/4885CHRNB4 1368/4885
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 KMT2A 1818/4885CHRNB2 4145/4885CHRNB4 4518/4885
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R KMT2A 1885/4885CHRNB2 534/4885CHRNB4 580/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 KMT2A 4753/4885CHRNB2 1502/4885CHRNB4 1368/4885

“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.