SCHEMBL14068809

SCHEMBL14068809

CC1=CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
MMP2 P08253 2/20 0.57
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL14077565 0.85 NPSR1 (0.57) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL25491618 0.84 MMP2 (0.56) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL23757669 0.84 CRHBP (0.58) NPSR1MMP2GAATSHRCRHBP
SCHEMBL23757665 0.84 CRHBP (0.58) NPSR1MMP2GAATSHRCRHBP
SCHEMBL23757987 0.84 CRHBP (0.58) NPSR1MMP2GAATSHRCRHBP
SCHEMBL5161798 0.83 MMP2 (0.54) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5406924 0.83 MMP2 (0.54) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5161792 0.83 MMP2 (0.54) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL25491398 0.82 NPSR1 (0.53) NPSR1MMP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5161114 0.80 LMNA (0.52) NPSR1MMP2ALDH1A1MAPTLMNA

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-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 US disclosed
US-7381741-B2 In which the amino is substituted by arylmethyl- or heteroarylmethyl- group, e.g., 2-Methoxybenzyl)-(2-phenylpyrrolidin-3-yl)-amine and 5-{[2-(3-Chloro-phenyl)-pyrrolidin-3-ylamino]-methyl}-6-methoxy-3-methyl-1,1a,3,7b-tetrahydro-3-aza-cyclopropa[a]naphalen-2-one; neurokinin 1 (Substance P) inhititors PFIZER INC (US) 2008-06-03 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-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PBK, KCND3, KCND2 NPSR1 230/4885MMP2 4323/4885ALDH1A1 1280/4885

“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.