SCHEMBL926907

SCHEMBL926907

COC(=O)C1CCc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.56
MTNR1A P48039 4/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
BACE1 P56817 1/20 0.45
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 4/20 0.44
MASP2 O00187 1/20 0.43
F2 P00734 1/20 0.43
IGF1R P08069 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8567081 1.00 SMYD3 (0.56) SMYD3MTNR1AGAAMAPTBACE1
SCHEMBL30357995 1.00 SMYD3 (0.56) SMYD3MTNR1AGAAMAPTBACE1
SCHEMBL7433964 1.00 SMYD3 (0.56) SMYD3MTNR1AGAAMAPTBACE1
Hydrochloric Acid SCHEMBL5424922 0.98 SMYD3 (0.54) SMYD3MTNR1AGAAMAPTBACE1
SCHEMBL644461 0.84 GAA (0.65) SMYD3MTNR1AGAAMAPTBACE1
SCHEMBL926891 0.84 GAA (0.65) SMYD3MTNR1AGAAMAPTBACE1
SCHEMBL3989086 0.84 GAA (0.65) SMYD3MTNR1AGAAMAPTBACE1
SCHEMBL29569853 0.84 GAA (0.65) SMYD3MTNR1AGAAMAPTBACE1
SCHEMBL428189 0.84 MTNR1A (0.53) SMYD3MTNR1AGAAMAPTHTR1A
SCHEMBL30358033 0.84 MTNR1A (0.53) SMYD3MTNR1AGAAMAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP claimed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO claimed
CN-107155326-B Conformal adult salt and preparation method thereof 麦迪韦逊科技有限公司 2021-03-05 CN disclosed
CN-107074824-A Phthalazine derivatives of formula (I) as PCAF and GCN5 inhibitors for the treatment of cancer 基因泰克公司 2017-08-18 CN disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160318870-A1 RORy MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-03 US disclosed
EP-3044219-A1 RORGAMMA MODULATORS Bristol-Myers Squibb Company (US) 2016-07-20 EP disclosed
CN-103080104-B N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein NOVARTIS AG 2015-04-08 CN disclosed
WO-2015035278-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-12 WO disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
CN-1098722-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMA (JP) 1995-02-15 CN disclosed
WO-1995001353-A1 ANTIHYPERTENSIVE TRICYCLIC AZEPINE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE CIBA-GEIGY AG (CH) 1995-01-12 WO disclosed
EP-0627434-A1 Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-12-07 EP disclosed
EP-0284395-B1 NOVEL GLYCEROL DERIVATIVE AND ANTI-HYPERTENSIVE AGENT NIPPON CHEMIPHAR CO., LTD. (JP) 1993-06-23 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed
US-5183811-A Glycerol derivative and anti-hypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1993-02-02 US disclosed
US-4962096-A WITH REDUCED PLATELET AGGREGATING ACTION NIPPON CHEMIPHAR CO., LTD. (JP) 1990-10-09 US disclosed
US-4595675-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
US-4401818-A HYPOTENSIVE AGENTS, CARDIOACTIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-08-30 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 (1 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-20160318870-A1 RORy MODULATORS RORB, RORC, RORA SMYD3 3654/4885MTNR1A 66/4885GAA 2554/4885

“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.