SCHEMBL6584141

SCHEMBL6584141

c1ccc(CN2CC[C@@H](N3CCCCC3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
L3MBTL3 Q96JM7 3/20 0.55
MBTD1 Q05BQ5 2/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
RECQL P46063 2/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
BACE1 P56817 1/20 0.51
CHRM2 P08172 2/20 0.50
CHRM3 P20309 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4278988 1.00 DRD2 (0.55) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL2322360 1.00 DRD2 (0.55) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL2327650 0.98 DRD2 (0.57) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL238565 0.98 DRD2 (0.57) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL3563415 0.98 DRD2 (0.57) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL4423264 0.92 ALDH1A1 (0.60) L3MBTL3MBTD1ALDH1A1CYP1A2CYP3A4
SCHEMBL6212951 0.90 L3MBTL3 (0.66) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL5091037 0.89 SIGMAR1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL28690097 0.89 L3MBTL3 (0.64) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL8177311 0.88 SIGMAR1 (0.53) DRD2DRD4DRD3L3MBTL3MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434774-A1 3-(4-SUBSTITUTED HETEROCYCLYL)-PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2004-07-07 EP disclosed
US-6642232-B2 Antitumor agents SUGEN, INC. 2003-11-04 US disclosed
US-20030130235-A1 3-[4-Substituted heterocyclyl)-pyrrol-2-ylmethylidene]-2- indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-07-10 US disclosed
WO-2003031438-A1 3-[4-(SUBSTITUTED HETEROCYCLYL)-PYRROL-2-YLMETHYLIDENE]-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-04-17 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 (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-20030130235-A1 3-[4-Substituted heterocyclyl)-pyrrol-2-ylmethylidene]-2- indolinone derivatives as kinase inhibitors PDGFRB, PDGFRA, KDR DRD2 4101/4885DRD4 4375/4885DRD3 4208/4885

“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.