SCHEMBL4117433

SCHEMBL4117433

CC(COc1ccc(C=O)cc1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
ALDH1A3 P47895 1/20 0.44
ESR1 P03372 6/20 0.43
ESR2 Q92731 6/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15040815 0.80 SIGMAR1 (0.57) SIGMAR1ESR1ESR2
SCHEMBL15018524 0.80 SIGMAR1 (0.57) SIGMAR1ESR1ESR2
SCHEMBL16279424 0.80 SIGMAR1 (0.57) SIGMAR1ESR1ESR2
SCHEMBL19222342 0.80 MEN1 (0.58) DRD3SIGMAR1ESR1ESR2KDM4E
SCHEMBL4349235 0.78 SIGMAR1 (0.51) DRD3SIGMAR1ESR1ESR2TSHR
SCHEMBL4349237 0.78 SIGMAR1 (0.51) DRD3SIGMAR1ESR1ESR2TSHR
SCHEMBL17085459 0.78 MEN1 (0.59) DRD3SIGMAR1ESR1ESR2KDM4E
SCHEMBL13712250 0.77 ALDH1A3 (0.56) ALDH1A3ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL15040811 0.77 ESR1 (0.46) SIGMAR1ALDH1A3ESR1ESR2ALDH1A1
SCHEMBL6836468 0.76 DRD3 (0.60) DRD3ESR1ESR2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 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 (1 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR DRD3 1410/4885SIGMAR1 334/4885ALDH1A3 226/4885

“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.