SCHEMBL4331091

SCHEMBL4331091

CC1(c2ccccc2)CCNC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.59
OPRM1 P35372 3/20 0.52
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DRD2 P14416 1/20 0.39
HTR2C P28335 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
TACR1 P25103 2/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
TSHR P16473 1/20 0.36
BACE1 P56817 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL27099782 1.00 HTR2A (0.59) HTR2AOPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL27225389 1.00 HTR2A (0.59) HTR2AOPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL28298506 0.89 HTR2A (0.49) HTR2AOPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL3438951 0.88 HTR2A (0.50) HTR2AOPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL19122010 0.88 HTR2A (0.50) HTR2AOPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL737635 0.87 OPRM1 (0.61) HTR2AOPRM1CYP2D6OPRK1OPRL1
Hydrochloric Acid SCHEMBL8587704 0.86 HTR2A (0.48) HTR2AOPRM1SLC6A2SLC6A4CYP2D6
Hydrochloric Acid SCHEMBL10007993 0.85 OPRM1 (0.59) HTR2AOPRM1CYP2D6OPRK1OPRL1
SCHEMBL16488091 0.82 HTR2A (0.45) HTR2AOPRM1SLC6A2SLC6A3OPRK1
SCHEMBL24685352 0.82 SLC6A2 (0.53) HTR2AOPRM1SLC6A2SLC6A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260007672-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2026-01-08 US disclosed
US-12491185-B2 Inhibitors of mPTP NRG THERAPEUTICS LTD (GB) 2025-12-09 US disclosed
EP-4652162-A1 INHIBITORS OF MPTP NRG Therapeutics LTD (GB) 2025-11-26 EP disclosed
EP-4608839-A1 SPIROCYCLE CONTAINING BICYCLIC HETEROARYL COMPOUNDS Protego Biopharma, Inc. (US) 2025-09-03 EP disclosed
EP-4608834-A1 SPIROCYCLE CONTAINING PYRIDINE COMPOUNDS Protego Biopharma, Inc. (US) 2025-09-03 EP disclosed
EP-4608838-A1 SPIROCYCLE CONTAINING PYRIDONE COMPOUNDS Protego Biopharma, Inc. (US) 2025-09-03 EP disclosed
US-20250177397-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2025-06-05 US disclosed
WO-2025010311-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 WO disclosed
WO-2024153946-A1 INHIBITORS OF MPTP NRG THERAPEUTICS LTD (GB) 2024-07-25 WO disclosed
US-20240174672-A1 Spirocycle Containing Pyridone Compounds PROTEGO BIOPHARMA, INC. 2024-05-30 US disclosed
CN-109715155-A blood brain barrier-penetrating agent dopamine- β -hydroxylase inhibitors 巴尔-波特拉及康邦亚股份有限公司 2019-05-03 CN disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 US disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed
US-20130184320-A1 Imine Compounds BASF SE (DE) 2013-07-18 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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 (7 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-12491185-B2 Inhibitors of mPTP PARK7, PINK1, SNCA HTR2A 289/4885OPRM1 39/4885SLC6A2 45/4885
US-20240174672-A1 Spirocycle Containing Pyridone Compounds TTR, BCL6, PLPBP HTR2A 2162/4885OPRM1 4596/4885SLC6A2 3647/4885
US-20250177397-A1 INHIBITORS OF MPTP PARK7, PINK1, SNCA HTR2A 289/4885OPRM1 39/4885SLC6A2 45/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 HTR2A 3002/4885OPRM1 1028/4885SLC6A2 4708/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A HTR2A 136/4885OPRM1 264/4885SLC6A2 400/4885
US-20260007672-A1 INHIBITORS OF MPTP PARK7, SNCA, CYC1 HTR2A 793/4885OPRM1 14/4885SLC6A2 85/4885
US-20130184320-A1 Imine Compounds INMT, PNMT, IPO5 HTR2A 2893/4885OPRM1 3285/4885SLC6A2 2447/4885

“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.