SCHEMBL2462707

SCHEMBL2462707

[CH2]c1cc(OC)ccc1N1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.69
HTR3E A5X5Y0 3/20 0.69
HTR3B O95264 3/20 0.69
HTR3D Q70Z44 3/20 0.69
HTR3C Q8WXA8 3/20 0.69
ADRB1 P08588 4/20 0.56
SIGMAR1 Q99720 2/20 0.56
NCF1 P14598 1/20 0.55
HTR1A P08908 9/20 0.54
HTR1B P28222 2/20 0.54
HTR1D P28221 1/20 0.54
HTR7 P34969 3/20 0.52
HTR6 P50406 3/20 0.49
HTR2B P41595 2/20 0.49
DRD2 P14416 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 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
SCHEMBL7412675 0.82 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL233151 0.82 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30747759 0.82 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3712047 0.82 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2768723 0.81 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7711668 0.81 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL28402339 0.81 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL4905371 0.81 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19186678 0.81 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2874319 0.79 HTR3A (0.77) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
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

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 HTR3A 3474/4885HTR3E 2866/4885HTR3B 3033/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 HTR3A 3474/4885HTR3E 2866/4885HTR3B 3033/4885

“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.