SCHEMBL2461209

SCHEMBL2461209

NCc1ccccc1C1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
HTR2C P28335 2/20 0.43
HTR1A P08908 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41

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
SCHEMBL27815142 0.90 HTR2A (0.43) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL27610705 0.89 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL9483225 0.84 HTR2C (0.51) HTR2C
SCHEMBL20840816 0.83 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL14938104 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL6641568 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL11498275 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL5450499 0.79 PNMT (0.43) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
Hydrochloric Acid SCHEMBL11198045 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR2CHTR1A
SCHEMBL28533805 0.77 HTR2C (0.57) SLC6A2SLC6A4SLC6A3HTR2CHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470918-A Aromatic heterocyclic derivative and pharmaceutical NIPPON SHINYAKU CO LTD 2015-03-25 CN disclosed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
US-5622966-A BACTERICIDES TREATING INFECTIONS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5446044-A Bactericides WARNER-LAMBERT COMPANY (US) 1995-08-29 US disclosed
US-5384407-A Pyrrolidine compounds WARNER-LAMBERT COMPANY (US) 1995-01-24 US disclosed
US-5342844-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-08-30 US disclosed
WO-1993016077-A1 7-SUBSTITUTED QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-08-19 WO disclosed
US-5221676-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1993-06-22 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 (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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 SLC6A2 4151/4885SLC6A4 4237/4885SLC6A3 3754/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 SLC6A2 4151/4885SLC6A4 4237/4885SLC6A3 3754/4885

“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.