SCHEMBL3984933

SCHEMBL3984933

CNCc1cnc(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.42
CYP3A4 P08684 17/20 0.42
CLK4 Q9HAZ1 11/20 0.42
HSD17B10 Q99714 8/20 0.42
CYP2D6 P10635 6/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 5/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL15587859 0.80 CYP1A2 (0.41) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14872317 0.79 PIK3CD (0.33) CYP3A4TP53KDM4EMAPT
SCHEMBL10246697 0.78 CYP1A2 (0.40) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL2261177 0.78 CYP1A2 (0.40) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL8279801 0.77 CYP1A2 (0.39) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14278517 0.77 CYP1A2 (0.42) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL1196784 0.77 CYP1A2 (0.40) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL1196783 0.77 CYP1A2 (0.39) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL807843 0.76 MEN1 (0.49) MEN1KMT2A
SCHEMBL7152816 0.75 CYP1A2 (0.38) CYP1A2CYP3A4CLK4HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
US-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 US disclosed
EP-3668869-B1 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AS IMMUNOSTIMULANTS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
US-20210346505-A1 Oral Formulations of Kappa Opioid Receptor Agonists CARA THERAPEUTICS, INC. 2021-11-11 US disclosed
EP-3904354-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2021-11-03 EP disclosed
US-11084847-B2 Polyamide compound and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-11033629-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-7402564-B1 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2008-07-22 US disclosed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO disclosed
WO-2008057608-A2 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2008-05-15 WO disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 US disclosed
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 US disclosed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
EP-1765326-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
EP-1749827-A1 ANTI-TUMOR AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005123066-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 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-11084847-B2 Polyamide compound and use thereof OPRK1, OPRM1, OPRD1 CYP1A2 241/4885CYP3A4 174/4885CLK4 1830/4885
US-20210346505-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR CYP1A2 1973/4885CYP3A4 1640/4885CLK4 3273/4885
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR CYP1A2 1973/4885CYP3A4 1640/4885CLK4 3273/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CYP1A2 1188/4885CYP3A4 267/4885CLK4 3557/4885
US-20070185116-A1 Bicyclic compounds KCNN3, KCNJ1, KCNJ2 CYP1A2 1927/4885CYP3A4 2590/4885CLK4 601/4885
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A CYP1A2 1621/4885CYP3A4 2493/4885CLK4 2362/4885
US-11684674-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR CYP1A2 1973/4885CYP3A4 1640/4885CLK4 3273/4885
US-11033629-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR CYP1A2 1973/4885CYP3A4 1640/4885CLK4 3273/4885

“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.