SCHEMBL4037828

SCHEMBL4037828

CC(Cl)CN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.60
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
SIGMAR1 Q99720 3/20 0.57
GAA P10253 2/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 6/20 0.54
ALOX15 P16050 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
ALOX12 P18054 1/20 0.54
TDP1 Q9NUW8 3/20 0.54
TSHR P16473 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54

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
SCHEMBL11284379 0.86 IGF1R (0.60) IGF1RALDH1A1MAPTSIGMAR1GAA
Hydrochloric Acid SCHEMBL8576435 0.85 IGF1R (0.65) IGF1RALDH1A1MAPTSIGMAR1GAA
SCHEMBL8159579 0.84 SIGMAR1 (0.64) IGF1RALDH1A1MAPTSIGMAR1MAPK1
SCHEMBL11460456 0.83 IGF1R (0.70) IGF1RALDH1A1MAPTSIGMAR1GAA
SCHEMBL13875132 0.83 IGF1R (0.65) IGF1RALDH1A1MAPTSIGMAR1GAA
SCHEMBL6926448 0.81 SIGMAR1 (0.64) ALDH1A1MAPTSIGMAR1GAAMAPK1
SCHEMBL13995622 0.81 SIGMAR1 (0.64) ALDH1A1MAPTSIGMAR1MAPK1MEN1
SCHEMBL11453795 0.81 IGF1R (0.67) IGF1RALDH1A1MAPTSIGMAR1GAA
SCHEMBL28226906 0.81 ALDH1A1 (0.77) ALDH1A1MAPTSIGMAR1MAPK1MEN1
SCHEMBL11465764 0.80 IGF1R (0.65) IGF1RALDH1A1MAPTSIGMAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764134-B1 Purine derivatives linked to arylpiperazines SPECTRUM PHARMACEUTICALS INC (US) 2009-01-28 EP disclosed
EP-1412028-B1 TETRAHYDROINDOLONE DERIVATIVES LINKED TO ARYLPIPERAZINES SPECTRUM PHARMACEUTICALS INC (US) 2007-10-17 EP disclosed
EP-1764134-A2 Tetrahydroindolone and purine derivatives linked to arylpiperazines Spectrum Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
US-6770638-B2 PSYCHOLOGICAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS SPECTRUM PHARMACEUTICALS, INC. 2004-08-03 US disclosed
EP-1412028-A1 TETRAHYDROINDOLONE AND PURINE DERIVATIVES LINKED TO ARYLPIPERAZINES Neotherapeutics, Inc. (US) 2004-04-28 EP disclosed
US-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines SPECTRUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2003011396-A1 TETRAHYDROINDOLONE AND PURINE DERIVATIVES LINKED TO ARYLPIPERAZINES NEOTHERAPEUTICS, INC. (US) 2003-02-13 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-20030114463-A1 Tetrahydroindolone and purine derivatives linked to arylpiperazines HTR5A, GABRA5, HTR2C IGF1R 4543/4885ALDH1A1 1880/4885MAPT 1264/4885

“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.