SCHEMBL2293058

SCHEMBL2293058

O=C(C[CH]c1ccccc1)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.59
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
CACNA1G O43497 1/20 0.51
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
FAAH O00519 1/20 0.50

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
SCHEMBL3794518 0.88 FAAH (0.61) SIGMAR1CACNA1GFAAH
SCHEMBL2293063 0.82 SIGMAR1 (0.69) SIGMAR1CYP1A2CYP2D6TMEM97CACNA1G
SCHEMBL2820894 0.79 RAB9A (0.57) CACNA1G
SCHEMBL4183701 0.76 SIGMAR1 (0.60) SIGMAR1CYP1A2CYP2D6TMEM97HTR1A
SCHEMBL4169180 0.74 SIGMAR1 (0.61) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL3794633 0.74 MEN1 (0.54) CACNA1GHTR1AHTR7
SCHEMBL2293727 0.74 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6TMEM97CACNA1G
SCHEMBL3801355 0.73 YAP1 (0.45)
SCHEMBL466864 0.72 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL3796066 0.72 MEN1 (0.54) HTR1AHTR7

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 315/4885CYP1A2 208/4885CYP2D6 253/4885
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 407/4885CYP1A2 355/4885CYP2D6 343/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 SIGMAR1 594/4885CYP1A2 762/4885CYP2D6 836/4885

“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.