SCHEMBL681660

SCHEMBL681660

CC(C)c1ccccc1CN(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.54
SLC6A2 P23975 11/20 0.49
SLC6A3 Q01959 10/20 0.49
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
GSR P00390 1/20 0.42
LMNA P02545 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17428477 0.82 TSHR (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL11727401 0.80 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL15614464 0.79 TSHR (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL799167 0.79 TAAR1 (0.55) GABRA1GABRB2HTR2A
SCHEMBL12646286 0.79 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL125255 0.78 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL29729780 0.78 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL12967114 0.77 KDM4E (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL9839884 0.77 GABRA1 (0.48) SLC6A4SLC6A2SLC6A3TSHRLMNA
SCHEMBL28261836 0.77 GABRA1 (0.48) SLC6A4SLC6A2SLC6A3TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
WO-2023086539-A2 BCAT2 INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2023-05-19 WO disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
WO-2023011540-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2023-02-09 WO disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 US disclosed
US-10434052-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles SAMUMED, LLC (US) 2019-10-08 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (8 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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 SLC6A4 4478/4885SLC6A2 4720/4885SLC6A3 3469/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 SLC6A4 2416/4885SLC6A2 2695/4885SLC6A3 3160/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SLC6A4 1997/4885SLC6A2 1848/4885SLC6A3 2051/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER SLC6A4 4206/4885SLC6A2 4176/4885SLC6A3 3508/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 SLC6A4 4478/4885SLC6A2 4720/4885SLC6A3 3469/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 SLC6A4 4474/4885SLC6A2 4733/4885SLC6A3 3504/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 SLC6A4 4428/4885SLC6A2 4710/4885SLC6A3 3424/4885
US-10434052-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles GLA, DGKA, DGKG SLC6A4 4522/4885SLC6A2 4749/4885SLC6A3 4455/4885

“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.