SCHEMBL6195048

SCHEMBL6195048

O=C(C1CCCCC1)C(C1CCc2ccccc2N1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
AVPR1A P37288 2/20 0.35
CYP46A1 Q9Y6A2 2/20 0.35
CCR5 P51681 6/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL6193124 0.84 GRIN2B (0.41) GRIN2B
SCHEMBL6193218 0.81 HTR7 (0.42) OPRD1OPRL1CNR1CNR2
SCHEMBL6194104 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6195914 0.81 ADRA1D (0.40) OPRM1OPRD1ADRA1DADRA1AADRA1B
SCHEMBL6192678 0.81 DRD3 (0.44) CNR1CNR2GRIN2B
SCHEMBL6193834 0.81 GRIN2B (0.38) CCR5CNR1CNR2GRIN2B
SCHEMBL7056625 0.80 EPHX1 (0.51)
SCHEMBL6193079 0.80 SLC18A3 (0.40) CNR1CNR2
SCHEMBL6194715 0.80 SMN1; SMN2 (0.38) GRIN2B
SCHEMBL6194363 0.79 FASN (0.45) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP claimed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US claimed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E OPRM1 14/4885OPRD1 30/4885OPRK1 63/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C OPRM1 15/4885OPRD1 18/4885OPRK1 26/4885

“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.