SCHEMBL781357

SCHEMBL781357

C[C@H](N)c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
AOC3 Q16853 1/20 0.46
ACHE P22303 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CASR P41180 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
SCHEMBL800515 1.00 IDO1 (0.48) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL146546 1.00 IDO1 (0.48) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL29876183 1.00 IDO1 (0.48) IDO1TDO2AOC3ACHEHDAC4
Hydrochloric Acid SCHEMBL780403 0.98 IDO1 (0.52) IDO1TDO2AOC3ACHEHDAC4
Bromide SCHEMBL28591637 0.98 IDO1 (0.47) IDO1TDO2AOC3ACHEHDAC4
Hydrochloric Acid SCHEMBL1239204 0.98 IDO1 (0.52) IDO1TDO2AOC3ACHEHDAC4
Iodide SCHEMBL29040444 0.98 IDO1 (0.47) IDO1TDO2AOC3ACHEHDAC4
Hydrochloric Acid SCHEMBL507110 0.98 IDO1 (0.52) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL31020152 0.85 IDO1 (0.44) IDO1TDO2AOC3ACHEHDAC4
SCHEMBL659099 0.83 ADRB2 (0.46) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119035-A RIPK1 kinase target inhibitor and preparation method and application thereof 中山大学 2024-12-13 CN claimed
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2015-11-05 US claimed
EP-2928860-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. Lundbeck A/S (DK) 2015-10-14 EP claimed
WO-2014090731-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-06-19 WO claimed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US claimed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US claimed
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
US-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists DOMAIN THERAPEUTICS (FR) 2026-01-20 US disclosed
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 EP disclosed
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-29 US disclosed
US-20250129041-A1 MOLECULAR GLUE AND USES THEREOF ASTROGEN, INC. (KR) 2025-04-24 US disclosed
WO-2025060911-A1 SUBSTITUTED PYRIDOTRIAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都奥睿药业有限公司 2025-03-27 WO disclosed
US-20250002452-A1 BICYCLOPENTANE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2025-01-02 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
WO-2006031852-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-03-23 WO disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 US disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2004-11-25 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-20250002452-A1 BICYCLOPENTANE DERIVATIVES BICRA, C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 IDO1 2164/4885TDO2 2207/4885AOC3 3821/4885
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 IDO1 467/4885TDO2 328/4885AOC3 2597/4885
US-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists PTGER1, PTGER4, PTGER3 IDO1 1575/4885TDO2 3009/4885AOC3 1630/4885
US-20150315130-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 IDO1 3189/4885TDO2 4254/4885AOC3 4072/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 IDO1 362/4885TDO2 262/4885AOC3 111/4885
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives GPR139, GPR119, GPR39 IDO1 1821/4885TDO2 4056/4885AOC3 2626/4885
US-20250129041-A1 MOLECULAR GLUE AND USES THEREOF ILK, FGB, UNC119 IDO1 4688/4885TDO2 4842/4885AOC3 2106/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 IDO1 1102/4885TDO2 2386/4885AOC3 622/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD IDO1 2570/4885TDO2 2789/4885AOC3 2901/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 IDO1 2403/4885TDO2 4532/4885AOC3 829/4885

“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.