SCHEMBL736454

SCHEMBL736454

C=CCC(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 9/20 0.41
SLC6A3 Q01959 9/20 0.41
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2D6 P10635 5/20 0.39
KCNH2 Q12809 4/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IGF1R P08069 1/20 0.38
AHR P35869 1/20 0.37

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
SCHEMBL31378993 0.81 HTR1A (0.42) HTR1AHTR7SLC6A2SLC6A4SLC6A3
SCHEMBL4677515 0.79 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6579297 0.79 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6577169 0.79 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL867450 0.79 AOC3 (0.47) LMNAHRH3
SCHEMBL27983485 0.79 AOC3 (0.47) LMNAHRH3
SCHEMBL15184752 0.79 AOC3 (0.47) LMNAHRH3
SCHEMBL7498979 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL10667203 0.78 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL13965635 0.78 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531653-B Novel difluoroketoamide derivatives 豪夫迈·罗氏有限公司 2021-10-19 CN disclosed
US-10428108-B2 Difluoroketamide derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-01 US disclosed
EP-3262026-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-01-03 EP disclosed
WO-2016135070-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 WO 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
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-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
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 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 (4 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 HTR1A 6/4885HTR7 17/4885SLC6A2 150/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C HTR1A 6/4885HTR7 17/4885SLC6A2 150/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C HTR1A 6/4885HTR7 17/4885SLC6A2 150/4885
US-10428108-B2 Difluoroketamide derivatives PRMT9, CDK9, FLT3 HTR1A 3343/4885HTR7 1915/4885SLC6A2 4182/4885

“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.