SCHEMBL16800015

SCHEMBL16800015

CNCc1cc(Cl)ccc1NC(=O)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A4 P31645 15/20 0.43
KCNH2 Q12809 8/20 0.43
HTR2A P28223 5/20 0.43
SLC6A2 P23975 10/20 0.42
SLC6A3 Q01959 8/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16799845 0.82 SLC6A4 (0.43) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL31718056 0.82 SLC6A4 (0.43) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
Acetic Acid SCHEMBL28091347 0.82 PTGER1 (0.41) USP2HPGDSLC6A4KCNH2HTR2A
Acetic Acid SCHEMBL16800014 0.81 KDM4E (0.45) USP2HPGDSLC6A4KCNH2HTR2A
SCHEMBL16799947 0.81 SLC6A4 (0.45) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL12074983 0.73 HPGD (0.50) USP2HPGDMEN1KMT2AKDM4E
SCHEMBL8145201 0.70 SLC6A4 (0.56) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL1019910 0.70 HPGD (0.46) USP2HPGDMEN1KMT2AKDM4E
SCHEMBL1646158 0.70 KDM4E (0.56) USP2HPGDMEN1KMT2AKDM4E
SCHEMBL9119625 0.69 KDM4E (0.60) USP2HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284648-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF HOFFMANN-LA ROCHE INC. (US) 2021-09-16 US disclosed
US-11040977-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crytalline forms thereof HOFFMANN-LA ROCHE INC. (US) 2021-06-22 US disclosed
EP-3077396-B1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
US-20190194210-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF HOFFMANN-LA ROCHE INC. (US) 2019-06-27 US disclosed
US-10246460-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[E]azulene and crytalline forms thereof HOFFMANN-LA ROCHE INC. (US) 2019-04-02 US disclosed
EP-3077396-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF F. Hoffmann-La Roche AG (CH) 2016-10-12 EP disclosed
US-20160280712-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF HOFFMANN-LA ROCHE INC. (US) 2016-09-29 US disclosed
WO-2015082370-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-06-11 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 (5 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-20210284648-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF CPNE4, CRYZ, CYP2A7 USP2 2779/4885HPGD 2697/4885SLC6A4 793/4885
US-20160280712-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF CRYZ, CPNE4, CYP2A7 USP2 2663/4885HPGD 2893/4885SLC6A4 892/4885
US-11040977-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[e]azulene and crytalline forms thereof CPNE4, CRYZ, CYP2A7 USP2 2779/4885HPGD 2697/4885SLC6A4 793/4885
US-10246460-B2 Synthesis of trans-8-chloro-5-methyl-1-[4-(pyridin-2-yloxy)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10B-tetraaza-benzo[E]azulene and crytalline forms thereof CRYZ, CPNE4, CYP2A7 USP2 2663/4885HPGD 2893/4885SLC6A4 892/4885
US-20190194210-A1 SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF CPNE4, CRYZ, CYP2A7 USP2 2779/4885HPGD 2697/4885SLC6A4 793/4885

“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.