SCHEMBL4550237

SCHEMBL4550237

CCCN1CCN(C2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 5/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL23135123 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1DRD2SIGMAR1KMT2A
SCHEMBL12842050 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1DRD2KMT2AHRH3
SCHEMBL4550367 0.84 KMT2A (0.46) KMT2AHRH3
SCHEMBL4546607 0.80 HTR7 (0.38) HRH3L3MBTL3HTR7
SCHEMBL17918971 0.80 DRD2 (0.36) SMN1; SMN2ALDH1A1DRD2SIGMAR1HTR7
SCHEMBL6657764 0.80 HTR7 (0.48) SMN1; SMN2SIGMAR1HTR7
SCHEMBL22043172 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1DRD2SIGMAR1KMT2A
SCHEMBL24204649 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1DRD2KMT2AHRH3
SCHEMBL24745760 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1DRD2SIGMAR1
SCHEMBL13431980 0.77 HRH3 (0.53) SMN1; SMN2HRH3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021154665-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885ALDH1A1 2467/4885DRD2 3698/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SMN1; SMN2 2348/4885ALDH1A1 971/4885DRD2 3620/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SMN1; SMN2 2348/4885ALDH1A1 971/4885DRD2 3620/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SMN1; SMN2 2348/4885ALDH1A1 971/4885DRD2 3620/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD SMN1; SMN2 2248/4885ALDH1A1 4423/4885DRD2 3546/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 3309/4885ALDH1A1 2467/4885DRD2 3698/4885

“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.