SCHEMBL4931908

SCHEMBL4931908

O=C(N1CCCC1)N(CCN1CCCC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
OPRM1 P35372 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGIR P43119 1/20 0.46
KMT2A Q03164 3/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
GFER P55789 1/20 0.44

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
SCHEMBL8437918 0.82 OPRM1 (0.51) HRH3OPRM1SIGMAR1ALDH1A1POLB
SCHEMBL30965977 0.77 ADRA2A (0.57) OPRM1SIGMAR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6566757 0.76 ADRA2A (0.59) OPRM1SIGMAR1ALDH1A1POLBSMN1; SMN2
SCHEMBL11195264 0.73 ALDH1A1 (0.83) ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10694181 0.72 OPRM1 (0.54) OPRM1SIGMAR1ALDH1A1PTGIR
SCHEMBL18390308 0.72 TACR1 (0.56) ALDH1A1
SCHEMBL20236474 0.72 LTB4R2 (0.50) ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL5758121 0.72 ADRA2C (0.61) ALDH1A1POLBPTGIRKMT2AADRA2A
SCHEMBL11661567 0.72 ALDH1A1 (0.87) ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10798764 0.72 OPRM1 (0.45) HRH3OPRM1SIGMAR1ALDH1A1PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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 (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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 HRH3 2081/4885OPRM1 1495/4885SIGMAR1 2358/4885

“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.