SCHEMBL2293331

SCHEMBL2293331

FC(F)(F)c1ccc(N2CCNC(Cl)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
MAOB P27338 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADRB1 P08588 1/20 0.39
HTR2C P28335 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1D P28221 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AKR1C3 P42330 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 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
SCHEMBL2246874 0.83 NOTUM (0.49) NOTUMMAOBCA12CA2CA9
SCHEMBL12153158 0.83 NOTUM (0.49) NOTUMMAOBCA12CA2CA9
SCHEMBL8271861 0.83 NOTUM (0.49) NOTUMMAOBCA12CA2CA9
SCHEMBL28837016 0.80 ADRB1 (0.56) ADRB1HTR2CHTR3AHTR3EHTR3B
SCHEMBL236047 0.78 ADRB1 (0.52) NOTUMADRB1HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL27362287 0.77 ADRB1 (0.50) NOTUMADRB1HTR3AHTR3EHTR3B
SCHEMBL233850 0.74 ADRB1 (0.67) MAOBCA12CA2CA9ADRB1
SCHEMBL7178620 0.74 ADRB1 (0.67) MAOBCA12CA2CA9ADRB1
Hydrochloric Acid SCHEMBL2961970 0.73 MAPT (0.65) MAOBCA12CA2CA9ADRB1
Hydrochloric Acid SCHEMBL29882384 0.73 MAPT (0.65) MAOBCA12CA2CA9ADRB1

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 8 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
EP-2155736-B1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO LTD (KR) 2011-12-21 EP 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
EP-2155736-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK Holdings Co., Ltd. (KR) 2010-02-24 EP disclosed
WO-2008140198-A1 NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO., LTD. (KR) 2008-11-20 WO 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 NOTUM 3565/4885MAOB 1480/4885CA12 3936/4885
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 NOTUM 3528/4885MAOB 1280/4885CA12 3608/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 NOTUM 3091/4885MAOB 1552/4885CA12 2996/4885

“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.