SCHEMBL1690342

SCHEMBL1690342

CC(C)(C)Cc1ccccc1OC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.58
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 5/20 0.44
DRD2 P14416 4/20 0.43
GRIN2B Q13224 3/20 0.41
GRIN1 Q05586 1/20 0.41
CYP2D6 P10635 4/20 0.40
KCNH2 Q12809 4/20 0.40
VNN1 O95497 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP2C19 P33261 1/20 0.38
PDE9A O76083 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 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
SCHEMBL14667220 0.84 RIPK1 (0.61) RIPK1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL22390532 0.80 RIPK1 (0.41) RIPK1SLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL1046654 0.80 MAPT (0.48) SLC6A3SLC6A2SLC6A4DRD2GRIN2B
SCHEMBL3480016 0.79 RIPK1 (0.78) RIPK1SLC6A3SLC6A2SLC6A4
SCHEMBL22389474 0.78 RIPK1 (0.57) RIPK1SLC6A2SLC6A4
SCHEMBL74595 0.78 RIPK1 (0.63) RIPK1GRIN1
SCHEMBL2091982 0.77 IDO1 (0.44) SLC6A3SLC6A2SLC6A4DRD2GRIN2B
SCHEMBL2094833 0.77 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4DRD2GRIN2B
SCHEMBL17449696 0.77 MGLL (0.38) RIPK1GRIN2B
SCHEMBL13875905 0.77 HTT (0.51) SLC6A3SLC6A2SLC6A4DRD2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230332199-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS RATIO THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
US-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-03 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 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 (10 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 RIPK1 626/4885SLC6A3 4252/4885SLC6A2 4778/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC RIPK1 1775/4885SLC6A3 4468/4885SLC6A2 4710/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 RIPK1 1925/4885SLC6A3 2784/4885SLC6A2 1917/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 RIPK1 4525/4885SLC6A3 1606/4885SLC6A2 1813/4885
US-20230332199-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS IL1RN, IL2RA, IL1A RIPK1 1993/4885SLC6A3 4462/4885SLC6A2 3969/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 RIPK1 626/4885SLC6A3 4252/4885SLC6A2 4778/4885
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 RIPK1 3418/4885SLC6A3 4503/4885SLC6A2 3656/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 RIPK1 486/4885SLC6A3 4294/4885SLC6A2 4355/4885
US-20200277296-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS RIPK1, RIPK4, RIPK3 RIPK1 1/4885SLC6A3 3925/4885SLC6A2 4695/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 RIPK1 626/4885SLC6A3 4252/4885SLC6A2 4778/4885

“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.