SCHEMBL3800973

SCHEMBL3800973

O=C(CCc1ccccc1)N1CCN(c2ccc(C(F)(F)F)c(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
MAPT P10636 4/20 0.65
MEN1 O00255 4/20 0.65
GFER P55789 1/20 0.62
ME2 P23368 1/20 0.60
ME1 P48163 1/20 0.60
ME3 Q16798 1/20 0.60
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
CETP P11597 1/20 0.51
HTT P42858 2/20 0.50
NOTUM Q6P988 1/20 0.50
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR7 P34969 2/20 0.49

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
SCHEMBL2820899 0.86 KMT2A (0.74) KMT2AMAPTMEN1GFERME2
SCHEMBL3800970 0.81 NOTUM (0.49) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL3796309 0.81 GFER (0.74) KMT2AMAPTMEN1GFERME2
SCHEMBL8091444 0.80 MEN1 (0.80) KMT2AMAPTMEN1GFERME2
SCHEMBL2824683 0.80 MAPT (1.00) KMT2AMAPTMEN1GFERME2
SCHEMBL3796071 0.80 MAPT (0.80) KMT2AMAPTMEN1GFERME2
SCHEMBL3801862 0.79 MAPT (0.64) KMT2AMAPTMEN1GFERME2
SCHEMBL3799394 0.79 GFER (0.74) KMT2AMAPTMEN1GFERME2
SCHEMBL3799766 0.77 GFER (1.00) KMT2AMAPTMEN1GFERME2
SCHEMBL3791872 0.76 GFER (0.74) KMT2AMAPTMEN1GFERME2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1354/4885MAPT 3315/4885MEN1 4789/4885

“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.