SCHEMBL5403295

SCHEMBL5403295

CC1(C)CCc2c(CCCN3CCOCC3)c[nH]c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SIGMAR1 Q99720 4/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HTR1A P08908 3/20 0.35
MPO P05164 2/20 0.35
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4D Q08499 5/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL6405708 0.89 MPO (0.43) HTR1DHTR1BHTR1AMPOHTR2A
SCHEMBL6430859 0.88 MPO (0.46) HTR1DHTR1BSIGMAR1HTR1AMPO
SCHEMBL5402430 0.80 HTR1D (0.45) HTR1DHTR1BSIGMAR1POLBHTR1A
SCHEMBL5405097 0.75 SLC6A4 (0.40) HTR1DHTR1BHTR1AMPOHTR2A
SCHEMBL5406462 0.73 SRC (0.42) SIGMAR1POLBUSP2ALOX15PDE4A
SCHEMBL5419711 0.73 MPO (0.42) HTR1DHTR1AMPOHRH3
SCHEMBL5414463 0.68 MPO (0.47) HTR1DHTR1BSIGMAR1HTR1AMPO
SCHEMBL5396500 0.68 MAPT (0.49) HTR1DHTR1BSIGMAR1HTR1AMPO
SCHEMBL6613728 0.65 SIGMAR1 (0.44) HTR1DHTR1BSIGMAR1HTR1AMPO
SCHEMBL7961169 0.64 MAPT (0.45) HTR1DHTR1BHTR1AMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 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 (3 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 HTR1D 1735/4885HTR1B 1422/4885SIGMAR1 3236/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 HTR1D 1635/4885HTR1B 1752/4885SIGMAR1 2265/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM HTR1D 2012/4885HTR1B 3035/4885SIGMAR1 3009/4885

“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.