SCHEMBL1572674

SCHEMBL1572674

CCOC(=O)C1CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.57
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.51

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
SCHEMBL14976624 0.87 MAPT (0.60) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL18173239 0.86 MAPT (0.59) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL15539191 0.84 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL5520122 0.84 MAPT (0.60) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL18212338 0.84 GAA (0.47) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL1720494 0.82 MAPT (0.72) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL24339466 0.81 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EPOLBNPC1
SCHEMBL11922962 0.81 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EPOLBNPC1
SCHEMBL24340315 0.81 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EPOLBNPC1
SCHEMBL900124 0.81 MAPT (0.70) MAPTALDH1A1KMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
EP-2880034-B1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-06-22 EP disclosed
EP-2892898-B1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
US-9120798-B2 Amino-heteroaryl 7-hydroxy-spiropiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-07-16 US disclosed
EP-2892898-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
EP-2880034-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-06-10 EP disclosed
EP-1896466-B1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1896466-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Company (US) 2008-03-12 EP disclosed
WO-2007002637-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293281-A1 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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 (7 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MAPT 4270/4885ALDH1A1 4132/4885KMT2A 2206/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE MAPT 4217/4885ALDH1A1 1472/4885KMT2A 646/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 MAPT 1569/4885ALDH1A1 2613/4885KMT2A 4414/4885
US-20060293281-A1 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY13 MAPT 1569/4885ALDH1A1 2613/4885KMT2A 4414/4885
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 MAPT 4812/4885ALDH1A1 580/4885KMT2A 4240/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA MAPT 314/4885ALDH1A1 1269/4885KMT2A 3540/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 MAPT 4822/4885ALDH1A1 258/4885KMT2A 4447/4885

“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.