SCHEMBL3875733

SCHEMBL3875733

O=C(Cc1ccc(CN2CCCC2)cc1)NCc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TNIK Q9UKE5 1/20 0.60
SIGMAR1 Q99720 1/20 0.56
BACE1 P56817 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
NPC1 O15118 1/20 0.49
NCF1 P14598 1/20 0.49

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
SCHEMBL3869011 1.00 L3MBTL1 (0.62) L3MBTL1KMT2AMEN1TNIKSIGMAR1
SCHEMBL3870522 0.84 MCHR1 (0.68) KMT2AMEN1SIGMAR1BACE1SMN1; SMN2
SCHEMBL3879688 0.84 MCHR1 (0.68) KMT2AMEN1SIGMAR1BACE1SMN1; SMN2
SCHEMBL21392801 0.81 NCF1 (0.56) TNIKHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2822477 0.79 KMT2A (0.76) L3MBTL1KMT2ASIGMAR1HPGDSMN1; SMN2
SCHEMBL1239274 0.78 HRH3 (0.74) L3MBTL1TNIKSMN1; SMN2ALDH1A1HRH3
SCHEMBL1656898 0.77 L3MBTL1 (1.00) L3MBTL1KMT2AMEN1HDAC1HDAC8
SCHEMBL14430765 0.77 KMT2A (0.64) L3MBTL1KMT2AHPGDSMN1; SMN2GAA
SCHEMBL1241906 0.77 HRH3 (0.78) L3MBTL1TNIKSMN1; SMN2ALDH1A1HRH3
Hydrochloric Acid SCHEMBL28582354 0.77 HRH3 (0.71) L3MBTL1TNIKSMN1; SMN2ALDH1A1HRH3

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-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20060128690-A1 Amine derivative MC1R, MC2R, MC4R L3MBTL1 2754/4885KMT2A 1130/4885MEN1 298/4885

“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.