SCHEMBL2991986

SCHEMBL2991986

Cn1nnnc1[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.51
SIGMAR1 Q99720 4/20 0.51
AADAT Q8N5Z0 2/20 0.49
PREP P48147 3/20 0.48
ACE2 Q9BYF1 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2991989 1.00 TMEM97 (0.51) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL2991820 0.86 AADAT (0.51) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL957528 0.86 CCR1 (0.49) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL957530 0.86 CCR1 (0.49) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL586903 0.85 SMN1; SMN2 (0.51) TMEM97SIGMAR1
SCHEMBL586922 0.82 ALDH1A1 (0.49) TMEM97SIGMAR1NPSR1
SCHEMBL13374851 0.82 CCR1 (0.56) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL2996181 0.80 TMEM97 (0.51) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL2996185 0.80 TMEM97 (0.51) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL15017310 0.80 SMN1; SMN2 (0.57) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
EP-1907378-A1 PREPARATION OF TERAZOLE DERIVATIVES Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 WO 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-20080200687-A1 Preparation of Terazole Derivatives TERB1, TALDO1, TERT TMEM97 2959/4885SIGMAR1 1679/4885AADAT 3098/4885
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES TERB1, TALDO1, TERT TMEM97 2959/4885SIGMAR1 1679/4885AADAT 3098/4885

“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.