SCHEMBL3796463

SCHEMBL3796463

O=C(CCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.77
GRM5 P41594 3/20 0.69
GFER P55789 1/20 0.69
MEN1 O00255 3/20 0.58
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
AR P10275 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
SCHEMBL2824053 0.87 KMT2A (1.00) KMT2AGFERMEN1MAPTLMNA
SCHEMBL2768505 0.84 KMT2A (0.71) KMT2AGRM5GFERMEN1MAPT
SCHEMBL1902513 0.82 GRM5 (1.00) KMT2AGRM5MAPTALDH1A1POLB
SCHEMBL3799766 0.82 GFER (1.00) KMT2AGRM5GFERMEN1MAPT
SCHEMBL8236035 0.81 GRM5 (0.68) KMT2AGRM5GFERMEN1MAPT
SCHEMBL3791872 0.81 GFER (0.74) KMT2AGFERMEN1MAPTLMNA
SCHEMBL2767625 0.80 KMT2A (0.65) KMT2AGFERMEN1ME2ME1
SCHEMBL1903391 0.80 GRM5 (0.65) KMT2AGRM5MEN1MAPTLMNA
SCHEMBL15840486 0.80 GRM5 (0.56) KMT2AGRM5MEN1MAPTLMNA
SCHEMBL7131839 0.79 NPC1 (0.86) KMT2AGFERMEN1MAPTTSHR

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 1354/4885GRM5 102/4885GFER 4454/4885

“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.