SCHEMBL2510864

SCHEMBL2510864

CCOC(=O)[C@@H]1CC=C(c2cccc(F)c2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TSHR P16473 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
GAA P10253 2/20 0.44
RORC P51449 1/20 0.42
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 2/20 0.40
FDFT1 P37268 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 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
SCHEMBL2510863 1.00 KDM4E (0.51) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL18866865 0.88 CDK9 (0.46) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL2521073 0.82 CCNT1 (0.50) CDK9CCNT1RORC
SCHEMBL2521074 0.82 CCNT1 (0.50) CDK9CCNT1RORC
SCHEMBL2506781 0.79 KDM4E (0.49) KDM4ETSHRALDH1A1L3MBTL1KMT2A
SCHEMBL2506784 0.79 KDM4E (0.49) KDM4ETSHRALDH1A1L3MBTL1KMT2A
SCHEMBL20103345 0.78 CDK9 (0.49) KDM4ETSHRSMN1; SMN2POLBALDH1A1
SCHEMBL2524006 0.78 CCNT1 (0.40) ALDH1A1L3MBTL1CDK9CCNT1GAA
SCHEMBL2524004 0.78 CCNT1 (0.40) ALDH1A1L3MBTL1CDK9CCNT1GAA
SCHEMBL2522856 0.77 CDK9 (0.49) KDM4ETSHRSMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2552919-B1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8420633-B2 Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2558467-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
EP-2552919-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
WO-2011128265-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 US disclosed
WO-2011120877-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-06 WO disclosed
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-06 US 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 (2 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-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES OXTR, AVPR1B, AVPR1A KDM4E 3233/4885TSHR 57/4885SMN1; SMN2 3577/4885
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR KDM4E 3013/4885TSHR 38/4885SMN1; SMN2 3718/4885

“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.