SCHEMBL2317845

SCHEMBL2317845

CC(=O)N1CCC(CC(=O)Nc2ccc(Br)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
GPR183 P32249 1/20 0.59
THRB P10828 1/20 0.54
NAMPT P43490 3/20 0.52
TP53 P04637 1/20 0.51
EPHX2 P34913 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMYD3 Q9H7B4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL2317806 0.85 EPHX2 (0.55) KMT2ARAB9ANPC1NAMPTTP53
SCHEMBL2317284 0.85 FAAH (0.53) KMT2ARAB9ANPC1GPR183NAMPT
SCHEMBL2320713 0.84 HDAC1 (0.53) KMT2ARAB9ANPC1THRBNAMPT
SCHEMBL7401491 0.83 KMT2A (0.87) KMT2ARAB9ANPC1NAMPTTP53
SCHEMBL2317338 0.83 EPHX2 (0.48) KMT2ARAB9ANPC1GPR183NAMPT
SCHEMBL2316812 0.82 EPHX2 (0.65) KMT2AGPR183NAMPTEPHX2MEN1
SCHEMBL16825852 0.82 FPR2 (0.63) KMT2ARAB9ANPC1GPR183NAMPT
SCHEMBL14720227 0.82 KMT2A (0.61) KMT2ARAB9ANPC1GPR183THRB
SCHEMBL2317393 0.81 HDAC1 (0.49) KMT2ARAB9ANPC1NAMPTEPHX2
SCHEMBL2317080 0.81 RAB9A (0.56) KMT2ARAB9ANPC1MEN1ALDH1A1

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
CN-102272120-A Biologically active amides 2011-12-07 CN disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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 (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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R KMT2A 3489/4885RAB9A 3184/4885NPC1 1717/4885

“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.