SCHEMBL6385482

SCHEMBL6385482

CN(C)CCCNC(=O)c1cnc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.51
NAMPT P43490 5/20 0.41
IGF1R P08069 2/20 0.40
DHODH Q02127 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 1/20 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
SCHEMBL6390952 0.88 BDKRB2 (0.45) BDKRB2NAMPTIGF1RDHODHKMT2A
SCHEMBL6386312 0.86 EPHX1 (0.42) BDKRB2DHODHMEN1KMT2A
SCHEMBL6385697 0.85 BDKRB2 (0.41) BDKRB2IGF1RDHODHSIGMAR1MEN1
SCHEMBL6385642 0.85 DRD2 (0.44) BDKRB2MEN1KMT2A
SCHEMBL6387921 0.85 BDKRB2 (0.51) BDKRB2IGF1RDHODHTMEM97SIGMAR1
SCHEMBL6385497 0.83 HTR2C (0.51) BDKRB2DHODH
SCHEMBL6388920 0.83 HTR2C (0.50) BDKRB2DHODH
SCHEMBL6385253 0.82 CACNA1G (0.48) NPC1RAB9A
SCHEMBL6391450 0.82 HTR2C (0.42) BDKRB2DHODH
SCHEMBL4698590 0.81 BDKRB2 (0.40) BDKRB2TMEM97SIGMAR1MEN1KMT2A

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-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 US claimed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 BDKRB2 73/4885NAMPT 2891/4885IGF1R 3436/4885

“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.