SCHEMBL3800970

SCHEMBL3800970

O=C(C[CH]c1ccccc1)N1CCN(c2ccc(C(F)(F)F)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ENPP2 Q13822 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CETP P11597 1/20 0.44
HTT P42858 3/20 0.43
CCR1 P32246 2/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
JAK3 P52333 1/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL2820894 0.86 RAB9A (0.57) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL3796307 0.82 ME2 (0.56) SMN1; SMN2LMNAENPP2MAPTALDH1A1
SCHEMBL3800973 0.81 KMT2A (0.65) NOTUMSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL2824681 0.80 MAPT (0.62) SMN1; SMN2LMNAKMT2AMEN1ENPP2
SCHEMBL3796066 0.80 MEN1 (0.54) SMN1; SMN2LMNAKMT2AMEN1ENPP2
SCHEMBL3799391 0.79 DRD2 (0.48) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL3799763 0.78 GFER (0.62) SMN1; SMN2LMNAMAPTALDH1A1HTT
SCHEMBL3791869 0.77 SMN1; SMN2 (0.55) SMN1; SMN2LMNAKMT2AMEN1ENPP2
SCHEMBL2291088 0.77 ME2 (0.53) SMN1; SMN2LMNAKMT2AENPP2MAPT
SCHEMBL3794406 0.77 CNR1 (0.52) SMN1; SMN2LMNAKMT2AMEN1MAPT

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 NOTUM 3565/4885SMN1; SMN2 3112/4885LMNA 4409/4885

“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.