SCHEMBL6385697

SCHEMBL6385697

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.41
IGF1R P08069 1/20 0.40
OPRM1 P35372 4/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KMT2A Q03164 2/20 0.35
OPRD1 P41143 2/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6385482 0.85 BDKRB2 (0.51) BDKRB2IGF1RSIGMAR1KMT2ADHODH
SCHEMBL6390952 0.82 BDKRB2 (0.45) BDKRB2IGF1RKMT2AMAPTLMNA
SCHEMBL6385642 0.81 DRD2 (0.44) BDKRB2KMT2AMAPTLMNACYP2C19
SCHEMBL4756002 0.80 ALDH1A1 (0.39) BDKRB2OPRM1OPRK1OPRL1KMT2A
SCHEMBL4700441 0.79 BDKRB2 (0.38) BDKRB2OPRM1OPRK1OPRL1KMT2A
SCHEMBL6385497 0.79 HTR2C (0.51) BDKRB2OPRM1OPRK1OPRL1NPSR1
SCHEMBL4698590 0.78 BDKRB2 (0.40) BDKRB2SIGMAR1KMT2AOPRD1MAPT
SCHEMBL6386312 0.78 EPHX1 (0.42) BDKRB2OPRM1OPRK1OPRL1KMT2A
SCHEMBL6384200 0.78 ROCK2 (0.40) ROCK2ENPP2
SCHEMBL6388920 0.78 HTR2C (0.50) BDKRB2OPRM1OPRK1OPRL1CYP1A2

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 73/4885IGF1R 3436/4885OPRM1 3/4885

“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.