SCHEMBL1768014

SCHEMBL1768014

CCCNC(=O)C1CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.65
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA7 P36544 1/20 0.55
CHRNA4 P43681 1/20 0.55
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
EPHX1 P07099 2/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL8140520 0.96 NAAA (0.70) NAAACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL517349 0.94 NAAA (0.73) NAAACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8690270 0.94 NAAA (0.73) NAAACHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL28065417 0.92 NAAA (0.71) NAAACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL103494 0.91
SCHEMBL8690057 0.88 NAAA (0.77) NAAAGNAI3GNAO1GNAI1KDM4E
SCHEMBL21880502 0.86 NAAA (0.86) NAAAGNAI3GNAO1GNAI1EPHX1
SCHEMBL28360641 0.85 NAAA (0.50) NAAACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31252296 0.84 NAAA (0.90) NAAAGNAI3GNAO1GNAI1EPHX1
SCHEMBL15199112 0.83 NAAA (0.51) NAAACHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP claimed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US claimed
EP-2504314-A1 QUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-03 EP claimed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US claimed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 WO claimed
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-10 US disclosed
CN-118660875-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2024-09-17 CN disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY 2023-10-12 US disclosed
WO-2023147531-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-03 WO disclosed
WO-2023147531-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-03 WO disclosed
US-10233157-B2 SIK inhibitor for use in a method of treating an inflammatory and/or immune disorder DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-19 US disclosed
US-20180215719-A9 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-08-02 US disclosed
US-20170342036-A1 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-11-30 US disclosed
US-9670165-B2 SIK inhibitor for use in a method of treating an inflammatory and/or immune disorder DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-06 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 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 (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-20180215719-A9 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER SIK1, SIK2, SGK1 NAAA 3199/4885CHRNB2 4519/4885CHRNB4 4517/4885
US-10233157-B2 SIK inhibitor for use in a method of treating an inflammatory and/or immune disorder SIK1, SIK2, SGK1 NAAA 3199/4885CHRNB2 4519/4885CHRNB4 4517/4885
US-20230322695-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN5 NAAA 3336/4885CHRNB2 4731/4885CHRNB4 4848/4885
US-20170342036-A1 SIK INHIBITOR FOR USE IN A METHOD OF TREATING AN INFLAMMATORY AND/OR IMMUNE DISORDER SIK1, SIK2, SGK1 NAAA 3199/4885CHRNB2 4519/4885CHRNB4 4517/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 NAAA 4275/4885CHRNB2 4432/4885CHRNB4 4637/4885
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use PTPN2, PTPN22, PTPN5 NAAA 3336/4885CHRNB2 4731/4885CHRNB4 4848/4885
US-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 NAAA 4519/4885CHRNB2 3738/4885CHRNB4 3632/4885

“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.