SCHEMBL3293125

SCHEMBL3293125

O=C(O)NCC1Cc2cc3c(cc2O1)CCCC3

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TBXA2R P21731 1/20 0.36
RAB9A P51151 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 4/20 0.34
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 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
SCHEMBL3293396 0.81 CYP1A2 (0.44) RAB9ANPC1SMN1; SMN2DRD2DRD4
SCHEMBL3296230 0.78 KDM4E (0.39) KDM4EGAARAB9AGPBAR1NPC1
SCHEMBL3296639 0.77 HRH3 (0.33)
SCHEMBL3292280 0.76 NFKB1 (0.39) KDM4EGAARAB9AGPBAR1HPGD
SCHEMBL3291553 0.73 PRKAB2 (0.33)
SCHEMBL3290329 0.73 NFKB1 (0.39) KDM4EGAARAB9AGPBAR1NPC1
SCHEMBL3290320 0.72 EZH2 (0.39) RAB9AGPBAR1NPC1HPGDSMN1; SMN2
SCHEMBL3290322 0.70 EZH2 (0.42) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL3293128 0.70 RXRA (0.34) KDM4EGAA
SCHEMBL3290426 0.69 EZH2 (0.36) RAB9AHPGDSMN1; SMN2DRD2DRD4

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
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B KDM4E 2343/4885GAA 1680/4885TBXA2R 200/4885

“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.