SCHEMBL2546841

SCHEMBL2546841

NNC(=O)[C@H]1CC[C@H](c2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.53
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
DEGS1 O15121 1/20 0.45
HSD11B1 P28845 2/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
GSK3B P49841 2/20 0.41
DYRK1A Q13627 1/20 0.41
ABL1 P00519 1/20 0.41
GSK3A P49840 1/20 0.41
CYP2A6 P11509 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2546843 1.00 CYP11B2 (0.53) CYP11B2ALDH1A1L3MBTL1SMN1; SMN2DEGS1
SCHEMBL2512984 0.81 AKR1C3 (0.56) ALDH1A1L3MBTL1SMN1; SMN2DEGS1
SCHEMBL2512986 0.81 AKR1C3 (0.56) ALDH1A1L3MBTL1SMN1; SMN2DEGS1
SCHEMBL29848157 0.79
SCHEMBL990213 0.79
Formaldehyde SCHEMBL28570916 0.77 CYP11B2 (0.71) CYP11B2ALDH1A1L3MBTL1SMN1; SMN2CYP2A6
Ammonia Solution, Strong SCHEMBL28985148 0.77 CYP11B2 (0.77) CYP11B2ALDH1A1SMN1; SMN2CYP2A6CHRNB2
SCHEMBL2474746 0.76 CHRNB2 (0.48) ALDH1A1SMN1; SMN2ABL1CHRNB2CHRNA4
SCHEMBL2474749 0.76 CHRNB2 (0.48) ALDH1A1SMN1; SMN2ABL1CHRNB2CHRNA4
Formic Acid SCHEMBL27888256 0.76 CYP11B2 (0.65) CYP11B2ALDH1A1L3MBTL1SMN1; SMN2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR CYP11B2 84/4885ALDH1A1 682/4885L3MBTL1 4343/4885

“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.