SCHEMBL13874804

SCHEMBL13874804

CN(C)[C@H]1CC[C@@H](N(C)CC2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.42
TMEM97 Q5BJF2 5/20 0.41
SIGMAR1 Q99720 2/20 0.35
ALOX5 P09917 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
HRH1 P35367 1/20 0.32
MCHR1 Q99705 1/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL27694563 0.93 ADRA1B (0.46) ADRA1BTMEM97SIGMAR1ALOX5HRH4
SCHEMBL3439991 0.91 ADRA1B (0.48) ADRA1BTMEM97SIGMAR1ALOX5HRH4
SCHEMBL13874794 0.91 TMEM97 (0.34) ADRA1BTMEM97
SCHEMBL21088841 0.88 ADRA1B (0.41) ADRA1BTMEM97SIGMAR1ALOX5HRH4
SCHEMBL13711851 0.88 ADRA1B (0.46) ADRA1BTMEM97SIGMAR1ALOX5HRH4
SCHEMBL13711904 0.86 ADRA1B (0.48) ADRA1BTMEM97SIGMAR1ALOX5HRH4
SCHEMBL19720283 0.86 ADRA1B (0.48) ADRA1BTMEM97SIGMAR1ALOX5HRH4
SCHEMBL5199733 0.83 ADRA1B (0.41) ADRA1BTMEM97SIGMAR1ALOX5HRH4
SCHEMBL9941985 0.83
SCHEMBL13280102 0.81 ADRA1B (0.44) ADRA1BTMEM97SIGMAR1ALOX5HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 ADRA1B 288/4885TMEM97 1998/4885SIGMAR1 1315/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 ADRA1B 288/4885TMEM97 1998/4885SIGMAR1 1315/4885

“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.