SCHEMBL2176256

SCHEMBL2176256

CC(C)(CCc1cccc(-c2ccccc2)c1)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
HTR7 P34969 1/20 0.47
TMEM97 Q5BJF2 9/20 0.44
SIGMAR1 Q99720 3/20 0.41
SLC6A4 P31645 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
HTR6 P50406 2/20 0.39
KCNH2 Q12809 1/20 0.39
NR1H2 P55055 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL5480690 0.82 FAAH (0.44) TMEM97SIGMAR1KCNH2ALDH1A1TSHR
SCHEMBL2178234 0.77 CRBN (0.46) NR1H2
SCHEMBL31612486 0.73 SIGMAR1 (0.71) HTR1AHTR7SIGMAR1NR1H2FAAH
SCHEMBL3153554 0.73 SIGMAR1 (0.71) HTR1AHTR7SIGMAR1NR1H2FAAH
SCHEMBL12736142 0.71 GBA1 (0.53) HTR1AHTR7SLC6A4
SCHEMBL25534374 0.70 CHRM3 (0.41) SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL1532929 0.70 GBA1 (0.51) SLC6A4
SCHEMBL6027063 0.68 CHRM2 (0.41) TMEM97SIGMAR1KCNH2
SCHEMBL8590928 0.67 SLC6A4 (0.43) SIGMAR1SLC6A4
SCHEMBL9989667 0.67 KMT2A (0.44) TMEM97SIGMAR1SLC6A4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973042-B2 Derivatives of alkylpiperazine- and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2011-07-05 US disclosed
US-20090143365-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2009-06-04 US disclosed
US-7482346-B2 Derivatives of alkylpiperazine and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP disclosed
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-02-01 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-20090143365-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 HTR1A 561/4885HTR7 341/4885TMEM97 503/4885
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 HTR1A 555/4885HTR7 296/4885TMEM97 510/4885

“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.