SCHEMBL4938844

SCHEMBL4938844

N#Cc1c(Cl)cccc1Oc1cccc(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TLR8 Q9NR97 1/20 0.45
HSD11B1 P28845 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
SRC P12931 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
AR P10275 2/20 0.39
CASR P41180 2/20 0.38

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
SCHEMBL3138718 0.85 TLR8 (0.53) MAPTTLR8HSD11B1KMT2AMEN1
SCHEMBL5896124 0.82 MAPT (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL30458091 0.82 MAPT (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL12960259 0.79 TLR8 (0.54) MAPTTLR8HSD11B1KMT2ALMNA
SCHEMBL3168191 0.78 GAA (0.50) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL6177523 0.78 AR (0.52) MAPTTLR8HSD11B1KMT2ALMNA
SCHEMBL7074090 0.77 TLR8 (0.47) MAPTTLR8HSD11B1KMT2AMEN1
SCHEMBL5339506 0.77 SMN1; SMN2 (0.46) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL2628137 0.77 TLR8 (0.52) MAPTTLR8HSD11B1KMT2ALMNA
SCHEMBL11508991 0.77 TLR8 (0.52) MAPTTLR8HSD11B1LMNAALDH1A1

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 5 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
EP-1753718-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES Pfizer Products Incorporated (US) 2007-02-21 EP disclosed
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PFIZER INC. 2005-12-29 US disclosed
WO-2005115976-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-08 WO 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-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PBK, KCND3, KCND2 MAPT 3604/4885TLR8 1946/4885HSD11B1 4697/4885
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PBK, KCND3, KCND2 MAPT 3604/4885TLR8 1946/4885HSD11B1 4697/4885

“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.