SCHEMBL3290576

SCHEMBL3290576

Oc1cc(Cl)cc2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SPR P35270 3/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33
RECQL P46063 2/20 0.32

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
SCHEMBL19679237 0.96 BCL2L1 (0.47) BCL2L1BADALDH1A1HSD17B10TSHR
SCHEMBL30305680 0.82 BCL2L1 (0.45) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL2264771 0.78 AR (0.37) HPGDMAPTKDM4EGAAPARP1
SCHEMBL3675894 0.77 BCL2L1 (0.50) BCL2L1BADALDH1A1HPGDMEN1
SCHEMBL15129334 0.77 ADRA2A (0.40) ALDH1A1HSD17B10TSHRHPGDMEN1
SCHEMBL31741019 0.77 ADRA2A (0.40) ALDH1A1HSD17B10TSHRHPGDMEN1
SCHEMBL156631 0.76 MEN1 (0.37) MEN1KMT2AMAPTPARP1DRD2
SCHEMBL8436954 0.74 BCL2L1 (0.42) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL22618626 0.74 BCL2L1 (0.42) BCL2L1BADALDH1A1MEN1KMT2A
SCHEMBL22618624 0.74 BCL2L1 (0.42) BCL2L1BADALDH1A1TSHRMEN1

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 6 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
CN-100448861-C Dihydrobenzofuranyl alkanamines and pharmaceutical compositions containing them WYETH CORP (US) 2009-01-07 CN disclosed
CN-1871226-A Dihydrobenzofuranalkylamines and pharmaceutical compositions containing them WYETH CORP (US) 2006-11-29 CN 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 BCL2L1 2673/4885BAD 781/4885ALDH1A1 185/4885

“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.