SCHEMBL3801355

SCHEMBL3801355

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
GPR183 P32249 3/20 0.39
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3796868 0.85 MEN1 (0.44) YAP1TEAD4MEN1KMT2ALMNA
SCHEMBL6285961 0.83 NPC1 (0.51) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL3796066 0.80 MEN1 (0.54) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL2824681 0.80 MAPT (0.62) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL3797896 0.78 ME2 (0.64) LMNAUSP2MAPTNPSR1ALDH1A1
SCHEMBL3799763 0.77 GFER (0.62) LMNAUSP2MAPTALDH1A1POLB
SCHEMBL2824049 0.77 KMT2A (0.64) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL15258825 0.77 HTT (0.57) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL3799756 0.77 OPRK1 (0.58)
SCHEMBL2820894 0.77 RAB9A (0.57) MEN1KMT2ALMNAUSP2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 YAP1 2741/4885TEAD4 2029/4885MEN1 4789/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 YAP1 3754/4885TEAD4 3475/4885MEN1 4723/4885

“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.