SCHEMBL2293689

SCHEMBL2293689

O=C(C[CH]c1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.67
CACNA2D1 P54289 8/20 0.67
CACNB1 Q02641 8/20 0.67
CACNA1C Q13936 7/20 0.67
DPP8 Q6V1X1 3/20 0.55
DPP7 Q9UHL4 2/20 0.55
FAP Q12884 1/20 0.55
DPP9 Q86TI2 1/20 0.55
CACNA1H O95180 2/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
CYP2D6 P10635 2/20 0.54
HIF1A Q16665 2/20 0.54
MAPT P10636 2/20 0.54
OPRM1 P35372 2/20 0.54
MAPK1 P28482 2/20 0.54
CACNA1G O43497 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL3799763 0.81 GFER (0.62) LMNAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL5264907 0.81 CACNA2D1 (1.00) CACNA1BCACNA2D1CACNB1CACNA1CCACNA1H
SCHEMBL2293693 0.79 CACNA1C (0.69) CACNA1BCACNA2D1CACNB1CACNA1CDPP8
SCHEMBL5446443 0.77 GPX4 (0.76) CACNA1BCACNA2D1CACNB1CACNA1CDPP8
SCHEMBL6488661 0.77 CACNA2D1 (0.67) CACNA1BCACNA2D1CACNB1CACNA1CDPP8
SCHEMBL7388086 0.77 CACNA2D1 (0.67) CACNA1BCACNA2D1CACNB1CACNA1CDPP8
SCHEMBL4283073 0.77 CACNA2D1 (0.70) CACNA1BCACNA2D1CACNB1CACNA1CDPP8
SCHEMBL4275953 0.77 CACNA2D1 (0.70) CACNA1BCACNA2D1CACNB1CACNA1CDPP8
SCHEMBL4271063 0.77 CACNA2D1 (0.70) CACNA1BCACNA2D1CACNB1CACNA1CDPP8
SCHEMBL31023878 0.76 CACNA2D1 (0.65) CACNA1BCACNA2D1CACNB1CACNA1CDPP8

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 CACNA1B 207/4885CACNA2D1 78/4885CACNB1 627/4885
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 CACNA1B 76/4885CACNA2D1 72/4885CACNB1 532/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 CACNA1B 67/4885CACNA2D1 42/4885CACNB1 367/4885

“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.