SCHEMBL13011305

SCHEMBL13011305

COC(=O)c1ccc2c3ccccc3n(CCN3CCOCC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ ATM Q13315 1/20 0.54
▸ SCARB1 Q8WTV0 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPY5R Q15761 1/20 0.51

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
SCHEMBL13011460 0.91 OPRK1 (0.55) CNR1ALDH1A1SCARB1NPY5R
SCHEMBL13011314 0.86 PTGER4 (0.59) CNR1ALDH1A1NPY5R
SCHEMBL13011809 0.80 CNR1 (0.48) CNR1ATMNPY5R
SCHEMBL13011462 0.80 SCARB1 (0.52) ALDH1A1SCARB1
SCHEMBL16880308 0.79 CNR1 (0.60) CNR1
SCHEMBL3932512 0.79 CNR2 (0.59) ALDH1A1SCARB1
SCHEMBL18028054 0.78 TSHR (0.64) CNR1ALDH1A1ATM
SCHEMBL13011120 0.77 CNR2 (0.52) CNR1ALDH1A1SCARB1
SCHEMBL13011578 0.77 TSHR (0.56) ALDH1A1SCARB1
SCHEMBL13011142 0.77 SCARB1 (0.52) ALDH1A1SCARB1

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E CNR1 776/4885ALDH1A1 2104/4885ATM 3637/4885

“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.

Send feedback