SCHEMBL3350656

SCHEMBL3350656

Cc1cccc([C@H](C)N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
AOC3 Q16853 1/20 0.44
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRB1 P08588 1/20 0.39
MIF P14174 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ADRB2 P07550 1/20 0.39
EPHX1 P07099 1/20 0.39
PARP1 P09874 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 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
SCHEMBL780412 1.00 ACHE (0.50) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL1238870 1.00 ACHE (0.50) ACHEAOC3ACP3ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2150146 0.98 ACHE (0.48) ACHEAOC3ACP3ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL16322028 0.98 ACHE (0.48) ACHEAOC3ACP3ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5777749 0.98 ACHE (0.48) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL7872122 0.85 SLC6A2 (0.44) ALDH1A1ADRB2MAPT
SCHEMBL659099 0.85 ADRB2 (0.46) ALDH1A1ADRB1MIFHTR2AADRA1A
SCHEMBL3259002 0.83 ACHE (0.52) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL3254719 0.83 ACHE (0.52) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL12569050 0.83 ACHE (0.52) ACHEAOC3ACP3ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518166-B Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2023-01-31 CN claimed
EP-4744664-A2 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2026-05-20 EP disclosed
US-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists DOMAIN THERAPEUTICS (FR) 2026-01-20 US disclosed
CN-119866337-A Crystal form of nitrogen-containing heterocyclic ketone compound and preparation method thereof 江苏豪森药业集团有限公司 2025-04-22 CN disclosed
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2024-11-21 US disclosed
US-20240262804-A1 NITROGEN-CONTAINING HETEROCYCLIC KETONES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-08-08 US disclosed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 US disclosed
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
CN-117720522-A Free base crystalline forms of triazinedione analogues and methods of making the same 江苏豪森药业集团有限公司 2024-03-19 CN disclosed
CN-117720521-A Salt of nitrogen-containing heterocyclic ketone compound and preparation method thereof 江苏豪森药业集团有限公司 2024-03-19 CN disclosed
WO-2014205223-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2014-12-24 WO disclosed
US-20140171640-A1 1,3-OXAZOLIDINE-2-ONE-LIKE COMPOUND, PREPARATION METHOD AND USES THEREOF YABANG PHARMACEUTICAL CO., LTD (CN) 2014-06-19 US disclosed
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE (US) 2012-12-06 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed
EP-1575579-B1 COMPOSITIONS COMPRISING A COMBINATION OF DIPHENYL UREA IMPDH INHIBITORS AND APOPTOSIS-INDUCING ANTI-CANCER AGENTS VERTEX PHARMA (US) 2009-03-04 EP disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 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 (6 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-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists PTGER1, PTGER4, PTGER3 ACHE 3162/4885AOC3 1630/4885ACP3 1948/4885
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ACHE 4834/4885AOC3 2620/4885ACP3 4098/4885
US-20240262804-A1 NITROGEN-CONTAINING HETEROCYCLIC KETONES, PREPARATION METHODS AND MEDICINAL USES THEREOF TNNI3, TNNT2, TNNC1 ACHE 3735/4885AOC3 1395/4885ACP3 4464/4885
US-20120309757-A1 N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG CDK5, CDK5R1, PPARG ACHE 3315/4885AOC3 4813/4885ACP3 526/4885
US-20140171640-A1 1,3-OXAZOLIDINE-2-ONE-LIKE COMPOUND, PREPARATION METHOD AND USES THEREOF OXA1L, CYP2C9, CYP1B1 ACHE 4043/4885AOC3 107/4885ACP3 4854/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 ACHE 2107/4885AOC3 4042/4885ACP3 362/4885

“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.