SCHEMBL6430859

SCHEMBL6430859

CN1CCN(CCCc2c[nH]c3c2CCC(C)(C)C3)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.46
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR1A P08908 7/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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 0.91 MPO (0.43) MPOHTR1DHTR1BHTR1AHTR2A
SCHEMBL5403295 0.88 HTR1D (0.40) MPOHTR1DHTR1BHTR1AHTR2A
SCHEMBL5396500 0.80 MAPT (0.49) MPOHTR1DHTR1BHTR1AMAPT
SCHEMBL5405097 0.76 SLC6A4 (0.40) MPOHTR1DHTR1BHTR1AHTR2A
SCHEMBL5419711 0.74 MPO (0.42) MPOHTR1DHTR1A
SCHEMBL6408140 0.71 SRC (0.41) MAPT
SCHEMBL5414463 0.70 MPO (0.47) MPOHTR1DHTR1BHTR1AHTR2A
SCHEMBL6613728 0.67 SIGMAR1 (0.44) MPOHTR1DHTR1BHTR1ADRD2
SCHEMBL7961169 0.65 MAPT (0.45) MPOHTR1DHTR1BHTR1AMAPT
SCHEMBL6601965 0.65 SPHK1 (0.40) MPOHTR1DHTR1BHTR1ADRD2

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-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 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

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-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 MPO 4227/4885HTR1D 1635/4885HTR1B 1752/4885

“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.