SCHEMBL3293104

SCHEMBL3293104

COc1cc(Cl)cc2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAP3K14 Q99558 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NLRP3 Q96P20 1/20 0.36
IDO1 P14902 1/20 0.36
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL21596850 0.78 DRD1 (0.44) ALDH1A1MEN1KMT2ACYP3A4ACHE
SCHEMBL31605597 0.78 DRD1 (0.44) ALDH1A1MEN1KMT2ACYP3A4ACHE
SCHEMBL11212530 0.77 HTR2C (0.41) MAPTNLRP3KDM4ENPC1CYP3A4
SCHEMBL22618628 0.77 NQO2 (0.38) ALDH1A1MAPTNPSR1NLRP3ERN1
SCHEMBL29383412 0.77 NQO2 (0.38) ALDH1A1MAPTNPSR1NLRP3ERN1
SCHEMBL11458912 0.77 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL156631 0.75 MEN1 (0.37) MAPTMEN1KMT2APOLBNLRP3
SCHEMBL21326108 0.75 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL29587832 0.75 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL22618647 0.73 MAPT (0.40) MAPTMEN1KMT2AIDO1ERN1

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 ALDH1A1 185/4885MAPT 1562/4885NPSR1 132/4885

“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.