SCHEMBL2473271

SCHEMBL2473271

COC(=O)[C@H]1CC[C@H](Oc2cccc(Cl)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 5/20 0.38
P2RX7 Q99572 1/20 0.38
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
ACSL1 P33121 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35

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
SCHEMBL2473274 1.00 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL2472710 0.85 HCRTR1 (0.44) ALDH1A1QPCTQPCTLACSL1HPGD
SCHEMBL2472706 0.85 HCRTR1 (0.44) ALDH1A1QPCTQPCTLACSL1HPGD
SCHEMBL2476336 0.83 HPGD (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL2476339 0.83 HPGD (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL29438247 0.81 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL17869437 0.80 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL17869436 0.80 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL21802698 0.79 MEN1 (0.44) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL17868941 0.79 MEN1 (0.44) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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-2370441-B1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-09-11 EP disclosed
US-8461152-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES SCHNIDER PATRICK (CH) 2012-09-06 US disclosed
US-8227458-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2370441-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-10-05 EP disclosed
WO-2010060836-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO disclosed
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN-LA ROCHE, INC. 2010-06-03 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-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 3420/4885L3MBTL1 3986/4885MEN1 2012/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 3420/4885L3MBTL1 3986/4885MEN1 2012/4885

“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.