SCHEMBL730517

SCHEMBL730517

C=CCC(O)C#Cc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
AOC3 Q16853 1/20 0.37
ASIC3 Q9UHC3 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL731332 0.80 KMT2A (0.49) KMT2AKDM4EALDH1A1TP53CYP3A4
SCHEMBL23024694 0.80 KMT2A (0.49) KMT2AKDM4EALDH1A1TP53CYP3A4
SCHEMBL730494 0.77 PYGL (0.39) KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL26080885 0.77 UGT2B7 (0.42) ACACBAOC3ASIC3KMT2AMEN1
SCHEMBL729985 0.74 KMT2A (0.38) ACACBKMT2AMEN1ALDH1A1MAPT
SCHEMBL728523 0.73 KMT2A (0.37) ACACBKMT2AMEN1KDM4EALDH1A1
Alcohol SCHEMBL730004 0.72 PYGL (0.36) KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL2329047 0.72 CYP2D6 (0.53) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL2329696 0.72 CYP2D6 (0.53) AOC3KMT2AMEN1CYP3A4CYP1A2
SCHEMBL10193763 0.72 CYP2D6 (0.53) AOC3KMT2AMEN1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138377-B2 Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use DOV PHARMACEUTICAL, INC. (US) 2012-03-20 US disclosed
US-8138377-B2 Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use DOV PHARMACEUTICAL, INC. (US) 2012-03-20 US disclosed
EP-2086328-A2 NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE DOV Pharmaceutical, Inc. (US) 2009-08-12 EP disclosed
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-11-27 US disclosed
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-11-27 US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 US disclosed
WO-2008057575-A2 NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE DOV PHARMACEUTICAL, INC. (US) 2008-05-15 WO disclosed
WO-2008057575-A2 NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE DOV PHARMACEUTICAL, INC. (US) 2008-05-15 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 (3 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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C ACACB 2270/4885AOC3 146/4885ASIC3 2013/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C ACACB 2270/4885AOC3 146/4885ASIC3 2013/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C ACACB 2270/4885AOC3 146/4885ASIC3 2013/4885

“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.