SCHEMBL175146

SCHEMBL175146

c1ccc2c(c1)CCNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 1.00
PNMT P11086 2/20 0.75
CD44 P16070 1/20 0.75
MAOB P27338 1/20 0.75
DRD2 P14416 2/20 0.57
DRD1 P21728 2/20 0.57
TSHR P16473 1/20 0.53
HTR2B P41595 3/20 0.52
HTR2A P28223 2/20 0.52
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
DRD3 P35462 1/20 0.50
ADCY6 O43306 1/20 0.48
ADCY3 O60266 1/20 0.48
ADCY9 O60503 1/20 0.48
ADCY5 O95622 1/20 0.48
ADCY8 P40145 1/20 0.48
ADCY7 P51828 1/20 0.48

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
SCHEMBL23555058 0.97 HTR2C (0.94) HTR2CPNMTCD44MAOBDRD2
Ammonia Solution, Strong SCHEMBL20359164 0.97 HTR2C (0.94) HTR2CPNMTCD44MAOBDRD2
Hydrochloric Acid SCHEMBL2307798 0.97 HTR2C (0.94) HTR2CPNMTCD44MAOBDRD2
Hydrochloric Acid SCHEMBL12505041 0.94 HTR2C (0.89) HTR2CPNMTCD44MAOBDRD2
Hydrochloric Acid SCHEMBL12803776 0.92 HTR2C (0.84) HTR2CPNMTCD44MAOBDRD2
Methyl Alcohol SCHEMBL12803778 0.89 HTR2C (0.80) HTR2CPNMTCD44MAOBDRD2
SCHEMBL4503593 0.89 HTR2C (0.80) HTR2CPNMTCD44MAOBDRD2
SCHEMBL4502828 0.87 HTR2C (0.76) HTR2CPNMTCD44MAOBDRD2
Pyrazine SCHEMBL6434305 0.87 HTR2C (0.76) HTR2CPNMTCD44MAOBDRD2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL27831591 0.87 PNMT (0.91) HTR2CPNMTCD44MAOBDRD2

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 1350 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP claimed
CN-110248926-B LSD1 inhibitor and preparation method and application thereof 石药集团中奇制药技术(石家庄)有限公司 2022-12-06 CN claimed
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US claimed
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2019-02-21 US claimed
EP-3436446-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2019-02-06 EP claimed
CN-105693610-B The preparation method of lorcaserin intermediate 国药集团宜宾制药有限责任公司 2019-01-11 CN claimed
EP-3324950-A1 TREATMENT FOR VITILIGO Glaxo Group Limited (GB) 2018-05-30 EP claimed
WO-2017173274-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-05 WO claimed
WO-2017017571-A1 TREATMENT FOR VITILIGO GLAXO GROUP LIMITED (GB) 2017-02-02 WO claimed
WO-2016069875-A1 COMPOSITIONS AND METHODS FOR CEASING TOBACCO SMOKING ARENA PHARMACEUTICALS, INC. (US) 2016-05-06 WO claimed
WO-1993017012-A1 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF NOVO NORDISK A/S (DK) 1993-09-02 WO claimed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US claimed
US-5025009-A Treatment of central nervous system disorders; bioavailability NOVO NORDISK A/S (DK) 1991-06-18 US claimed
US-5010074-A Treating CNS disorders; dopamine antagonist; bioavailability NOVO NORDISK A/S (DK) 1991-04-23 US claimed
EP-0347672-A1 Benzazepine derivatives NOVO NORDISK A/S (DK) 1989-12-27 EP claimed
US-4751222-A 2,3,4,5-tetrahydro-1H-3-benzazepines and CNS affecting use thereof NOVO INDUSTRI A/S (DK) 1988-06-14 US claimed
EP-0127423-B1 1-(4'-BRANCHED ALKYLSULFONYLPHENYL)-6-CHLORO-7,8-DIHYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-03 EP claimed
EP-0200455-A2 2,3,4,5-tetrahydro-1H-3-benzazepines substituted in position 5 NOVO NORDISK A/S (DK) 1986-11-05 EP claimed
EP-0153400-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1985-09-04 EP claimed
WO-1985000808-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF SUCH COMPOUNDS AND COMPOSITIONS SCHERING CORP. (US) 1985-02-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G HTR2C 4509/4885PNMT 4206/4885CD44 3886/4885
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G HTR2C 4509/4885PNMT 4206/4885CD44 3886/4885

“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.