SCHEMBL2293063

SCHEMBL2293063

O=C(CCc1ccccc1)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.69
TSHR P16473 1/20 0.63
CACNA1G O43497 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
NPC1 O15118 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
FKBP1A P62942 1/20 0.54
MAPT P10636 1/20 0.54
KCNH2 Q12809 1/20 0.53
HTR7 P34969 2/20 0.53
HTR1A P08908 1/20 0.53

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
SCHEMBL3794520 0.89 SIGMAR1 (0.68) SIGMAR1TSHRCACNA1GMEN1KMT2A
SCHEMBL31512422 0.82 TSHR (0.66) SIGMAR1TSHRMEN1KMT2ANPC1
SCHEMBL3794636 0.82 CACNA1G (0.67) CACNA1GMEN1KMT2AMAPTHTR7
SCHEMBL2293058 0.82 SIGMAR1 (0.59) SIGMAR1CACNA1GCYP1A2CYP2D6TMEM97
SCHEMBL466864 0.80 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL13342864 0.80 NPC1 (0.59) SIGMAR1KMT2ANPC1TDP1
SCHEMBL2820899 0.80 KMT2A (0.74) CACNA1GMEN1KMT2ANPC1TDP1
Hydrochloric Acid SCHEMBL27435595 0.79 SIGMAR1 (0.67) SIGMAR1TSHRTMEM97
SCHEMBL31420194 0.79 TSHR (0.97) SIGMAR1TSHRMEN1KMT2ANPC1
SCHEMBL9819732 0.79 TSHR (0.71) SIGMAR1TSHRMEN1KMT2ANPC1

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-8901116-B2 Method for treating pain, anxiety or depression using carbamoyloxy alkanoyl piperazine compound SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-12-02 US disclosed
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-03-27 US disclosed
US-8541409-B2 Carbamoyloxy arylalkanoyl arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-09-24 US disclosed
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-08-11 US disclosed
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO. LTD. (KR) 2010-06-24 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 (3 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-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, OPRD1, OPRL1 SIGMAR1 315/4885TSHR 2021/4885CACNA1G 505/4885
US-20110195963-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, CNR2, CNR1 SIGMAR1 407/4885TSHR 2282/4885CACNA1G 327/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 SIGMAR1 594/4885TSHR 2865/4885CACNA1G 191/4885

“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.