SCHEMBL4815795

SCHEMBL4815795

O=C(Cc1ccccc1)N1C[CH]CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSD11B1 P28845 1/20 0.51
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
TACR3 P29371 1/20 0.48
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL874261 0.85 NPC1 (0.68) NPC1TDP1ALDH1A1KDM4EPOLB
SCHEMBL1492483 0.83 NPC1 (0.69) NPC1TDP1ALDH1A1KDM4EPOLB
SCHEMBL8599235 0.83 NPC1 (0.69) NPC1TDP1ALDH1A1KDM4EPOLB
SCHEMBL17646321 0.80 NPC1 (0.71) NPC1TDP1ALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL7223460 0.80 L3MBTL1 (0.65) NPC1TDP1ALDH1A1KDM4EPOLB
SCHEMBL2001609 0.78 L3MBTL1 (0.63) ALDH1A1KDM4EPOLBL3MBTL1HSD11B1
SCHEMBL3967794 0.77 HSD11B1 (0.77) ALDH1A1KDM4EL3MBTL1HSD11B1HPGD
SCHEMBL10722408 0.77 HSD11B1 (0.77) ALDH1A1KDM4EL3MBTL1HSD11B1HPGD
SCHEMBL2645645 0.74 ALDH1A1 (0.47) NPC1TDP1ALDH1A1KDM4EPOLB
SCHEMBL8672473 0.73 L3MBTL1 (0.56) NPC1TDP1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 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 (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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 NPC1 1217/4885TDP1 3017/4885ALDH1A1 3054/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 NPC1 1768/4885TDP1 3996/4885ALDH1A1 2017/4885

“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.