SCHEMBL2824049

SCHEMBL2824049

O=C(C[CH]c1ccccc1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
TSHR P16473 3/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 3/20 0.64
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
GAA P10253 1/20 0.58
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL3796461 0.87 GRM5 (0.61) KMT2AMEN1TSHRMAPTLMNA
SCHEMBL3799763 0.81 GFER (0.62) TSHRMAPTLMNANPC1RAB9A
SCHEMBL3799391 0.81 DRD2 (0.48) KMT2AMEN1TSHRMAPTLMNA
SCHEMBL3799756 0.81 OPRK1 (0.58)
SCHEMBL14224489 0.79 KMT2A (0.73) KMT2AMEN1TSHRMAPTLMNA
SCHEMBL15224256 0.79 KMT2A (0.83) KMT2AMEN1TSHRMAPTLMNA
SCHEMBL3796868 0.78 MEN1 (0.44) KMT2AMEN1TSHRMAPTLMNA
SCHEMBL3791869 0.78 SMN1; SMN2 (0.55) KMT2AMEN1TSHRMAPTLMNA
SCHEMBL5234913 0.78 KDM4E (0.73) KMT2AMEN1TSHRMAPTLMNA
SCHEMBL3801355 0.77 YAP1 (0.45) KMT2AMEN1MAPTLMNANPC1

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 6 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-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 (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-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 KMT2A 1354/4885MEN1 4789/4885TSHR 2021/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 KMT2A 1204/4885MEN1 4723/4885TSHR 2865/4885

“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.