SCHEMBL1944378

SCHEMBL1944378

O=C1N(c2ccc(C3CC3)cc2)CCC12CCN(CCCc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 3/20 0.49
EGLN1 Q9GZT9 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL1944073 0.93 HRH3 (0.51) SIGMAR1HRH3EGLN1
SCHEMBL1946373 0.81 ITGB3 (0.57) HRH3EGLN1ITGB3ITGA2B
SCHEMBL1944492 0.79 EGLN1 (0.45) SIGMAR1KMT2AHRH3EGLN1ITGB3
SCHEMBL1947264 0.78 HRH3 (0.54) HRH3EGLN1ITGB3ITGA2B
SCHEMBL745418 0.78 HRH3 (0.49) TSHRHRH3EGLN1
SCHEMBL1944541 0.77 SLC18A3 (0.49) MEN1KMT2AHRH3EGLN1ITGB3
SCHEMBL1944540 0.77 SLC18A3 (0.49) MEN1KMT2AHRH3EGLN1ITGB3
SCHEMBL1944543 0.77 SLC18A3 (0.49) MEN1KMT2AHRH3EGLN1ITGB3
SCHEMBL1961559 0.77 SIGMAR1 (0.46) SIGMAR1CYP2D6TSHRHRH3
SCHEMBL1945920 0.77 ALDH1A1 (0.47) MEN1KMT2AHRH3EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP claimed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US claimed
EP-2507239-A1 AZACYCLIC SPIRO DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP claimed
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO claimed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US claimed
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2507239-A1 AZACYCLIC SPIRO DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 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-20110130417-A1 NEW AZACYCLIC DERIVATIVES AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A1 SIGMAR1 337/4885MEN1 379/4885TP53 606/4885

“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.