Sugi Predict

Sugi Predict / Compounds / SCHEMBL2997110

SCHEMBL2997110

SCHEMBL2997110

CC(C)n1nnnc1[C@H]1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRM2 P08172 3/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL2997114 1.00 TAAR1 (0.45) TAAR1L3MBTL1TSHRALDH1A1CHRM2
SCHEMBL5314842 0.78 L3MBTL1 (0.50) TAAR1L3MBTL1CHRM2CHRM4CHRM5
SCHEMBL5334794 0.74 L3MBTL1 (0.43) TAAR1L3MBTL1ALDH1A1CHRM2CHRM4
SCHEMBL23137882 0.74 TSHR (0.38) TSHRALDH1A1CYP1A2POLBCYP2C19
SCHEMBL4142598 0.73 MEN1 (0.41) TSHRALDH1A1CYP1A2POLBCYP2C19
SCHEMBL21152149 0.73 ALDH1A1 (0.38) TSHRALDH1A1CYP1A2POLBCYP2C19
SCHEMBL5332404 0.72 L3MBTL1 (0.44) TAAR1L3MBTL1ALDH1A1CHRNA7CYP1A2
SCHEMBL12255505 0.71 TSHR (0.34) TSHRALDH1A1CYP1A2POLBCYP2C19
SCHEMBL14747110 0.68 HTT (0.46) TAAR1L3MBTL1TSHRALDH1A1CHRNB2
SCHEMBL2989002 0.68 TAAR1 (0.39) TAAR1L3MBTL1CHRM2CHRM4CHRM5

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 6 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

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 TAAR1 985/4885L3MBTL1 2483/4885TSHR 176/4885
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES TERB1, TALDO1, TERT TAAR1 985/4885L3MBTL1 2483/4885TSHR 176/4885

“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.