SCHEMBL2464534

SCHEMBL2464534

[CH2]c1ccccc1C(C)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.42
CYP3A4 P08684 6/20 0.42
CYP2C19 P33261 6/20 0.42
KCNA5 P22460 7/20 0.41
CYP1A2 P05177 5/20 0.41
CYP2C9 P11712 4/20 0.41
KCNH2 Q12809 4/20 0.41
KCNE1 P15382 2/20 0.41
POLB P06746 1/20 0.39
MC4R P32245 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LTA4H P09960 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 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
SCHEMBL13400116 0.79 CYP2D6 (0.44) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2
SCHEMBL15265126 0.78 OPRM1 (0.48) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2
SCHEMBL9779106 0.77 CYP2D6 (0.39) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2
SCHEMBL8983515 0.77 CYP2D6 (0.45) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2
SCHEMBL13553399 0.76 KDM4E (0.51) CYP2D6MC4RMEN1KMT2AKDM4E
SCHEMBL31669185 0.76 OPRM1 (0.49) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2
SCHEMBL1903551 0.75 CYP2D6 (0.40) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2
SCHEMBL31120972 0.75 ALDH1A1 (0.44) CYP2C19CYP1A2CYP2C9MEN1KMT2A
SCHEMBL5745644 0.74 CYP2D6 (0.42) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2
SCHEMBL5745645 0.74 CYP2D6 (0.42) CYP2D6CYP3A4CYP2C19KCNA5CYP1A2

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 CYP2D6 4384/4885CYP3A4 4073/4885CYP2C19 4557/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 CYP2D6 4384/4885CYP3A4 4073/4885CYP2C19 4557/4885

“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.