SCHEMBL3801360

SCHEMBL3801360

O=C(CCc1ccccc1)N1CCN(Cl)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
FKBP1A P62942 1/20 0.67
KMT2A Q03164 3/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 2/20 0.65
POLB P06746 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
TSHR P16473 1/20 0.64
ME2 P23368 2/20 0.62
ME1 P48163 2/20 0.62
ME3 Q16798 2/20 0.62
GFER P55789 1/20 0.61
NAAA Q02083 1/20 0.60
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
SIGMAR1 Q99720 1/20 0.55
PKM P14618 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
SCHEMBL7131839 0.91 NPC1 (0.86) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL14747850 0.87 NPC1 (0.73) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL9819732 0.85 TSHR (0.71) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL3796874 0.85 NPC1 (0.75) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL25432319 0.84 NPC1 (0.93) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL3700679 0.84 NPC1 (1.00) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL8984794 0.84 NPC1 (0.69) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL9410811 0.83 NPC1 (0.73) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL10163014 0.83 NPC1 (0.73) NPC1TDP1FKBP1AKMT2AMAPT
SCHEMBL17087869 0.83 NPC1 (0.96) NPC1TDP1FKBP1AKMT2AMAPT

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 NPC1 1042/4885TDP1 3341/4885FKBP1A 1218/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 NPC1 1383/4885TDP1 3476/4885FKBP1A 1140/4885

“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.