SCHEMBL2991820

SCHEMBL2991820

CC(C)n1nnnc1[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.51
ACE2 Q9BYF1 3/20 0.50
PREP P48147 6/20 0.48
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
CTRB1 P17538 1/20 0.45

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 0.86 TMEM97 (0.51) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL2991986 0.86 TMEM97 (0.51) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL957528 0.83 CCR1 (0.49) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL957530 0.83 CCR1 (0.49) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL2988175 0.80 AADAT (0.53) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL13374851 0.79 CCR1 (0.56) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL2996181 0.76 TMEM97 (0.51) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL2996185 0.76 TMEM97 (0.51) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL29277932 0.74 PREP (0.52) AADATACE2PREPTMEM97SIGMAR1
SCHEMBL13246605 0.74 TMEM97 (0.49) AADATACE2PREPTMEM97SIGMAR1

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 4 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-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

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 AADAT 3098/4885ACE2 2964/4885PREP 2708/4885
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES TERB1, TALDO1, TERT AADAT 3098/4885ACE2 2964/4885PREP 2708/4885

“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.