SCHEMBL2522495

SCHEMBL2522495

O=C(O)C1CC=C(c2cccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.47
CCNT1 O60563 2/20 0.47
RORC P51449 4/20 0.41
PPARG P37231 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
MCL1 Q07820 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
NR4A1 P22736 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
SCHEMBL2522501 1.00 CDK9 (0.47) CDK9CCNT1RORCPPARGMEN1
SCHEMBL2523997 0.84 CCNT1 (0.37) CDK9CCNT1MEN1KMT2ARAB9A
SCHEMBL2523991 0.84 CCNT1 (0.37) CDK9CCNT1MEN1KMT2ARAB9A
SCHEMBL2506781 0.81 KDM4E (0.49) CDK9CCNT1RORCMEN1KMT2A
SCHEMBL2506784 0.81 KDM4E (0.49) CDK9CCNT1RORCMEN1KMT2A
SCHEMBL19746393 0.78 NPC1 (0.46) CDK9CCNT1RORCPPARGRAB9A
SCHEMBL9703865 0.77 SLC6A4 (0.60) RAB9AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL18866863 0.76 SLC6A3 (0.42) RAB9ASLC6A3KDM4EALDH1A1GAA
SCHEMBL2521074 0.75 CCNT1 (0.50) CDK9CCNT1RORCPPARG
SCHEMBL18866894 0.75 CDK9 (0.50) CDK9CCNT1RORCPPARG

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 9 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-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US 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
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 US disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 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 (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-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES OXTR, AVPR1B, AVPR1A CDK9 3334/4885CCNT1 1550/4885RORC 1454/4885

“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.