SCHEMBL8565635

SCHEMBL8565635

N#Cc1ccc2c(c1)CC[CH]C2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 4/20 0.53
PNMT P11086 6/20 0.49
KDM1A O60341 2/20 0.40
CYP19A1 P11511 3/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C1 Q04828 1/20 0.36
TRPA1 O75762 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33

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
SCHEMBL14896444 0.92 PNMT (0.53) DRD2DRD3PNMTKDM1ACYP19A1
SCHEMBL1786744 0.84 PNMT (0.50) DRD2DRD3PNMTKDM1ATRPA1
SCHEMBL29741121 0.75 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP19A1
SCHEMBL29618357 0.75 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP19A1
SCHEMBL8222195 0.75 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP19A1
SCHEMBL3363261 0.75 PNMT (0.60) DRD2DRD3PNMTKDM1ACYP19A1
Hydrochloric Acid SCHEMBL15205820 0.74 PNMT (0.58) DRD2DRD3PNMTKDM1ACYP19A1
Hydrochloric Acid SCHEMBL30894888 0.74 PNMT (0.58) DRD2DRD3PNMTKDM1ACYP19A1
SCHEMBL17350029 0.74 PNMT (0.58) DRD2DRD3PNMTKDM1ACYP19A1
SCHEMBL4033305 0.72 PNMT (0.79) DRD2DRD3PNMT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590708-B Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2021-08-17 CN claimed
CN-110590708-A Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2019-12-20 CN claimed
CN-110590708-B Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2021-08-17 CN disclosed
CN-110590708-A Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2019-12-20 CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
EP-0683782-A4 SPIRO (2H-1-BENZOPYRAN-2, 4' PIPERIDINE) CLASS III ANTIARRHYTHMICS. MERCK & CO INC (US) 1996-03-27 EP disclosed
EP-0683782-A1 SPIRO (2H-1-BENZOPYRAN-2, 4' PIPERIDINE) CLASS III ANTIARRHYTHMICS MERCK & CO. INC. (US) 1995-11-29 EP disclosed
WO-1994018204-A1 SPIRO (2H-1-BENZOPYRAN-2, 4' PIPERIDINE) CLASS III ANTIARRHYTHMICS MERCK & CO., INC. (US) 1994-08-18 WO disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP 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 (1 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 DRD2 923/4885DRD3 213/4885PNMT 453/4885

“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.