SCHEMBL6193124

SCHEMBL6193124

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
SLC18A3 Q16572 1/20 0.41
HTR1A P08908 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6194715 0.90 SMN1; SMN2 (0.38) GRIN2BSLC18A3HTR1ASIGMAR1ALDH1A1
SCHEMBL6194104 0.86 GRIN2D (0.39) GRIN2BSIGMAR1HRH3MEN1KMT2A
SCHEMBL6193834 0.85 GRIN2B (0.38) GRIN2BSLC18A3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL6194843 0.84 ALDH1A1 (0.35) HTR1AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL6193079 0.84 SLC18A3 (0.40) SLC18A3ALDH1A1KCNH2HRH3MEN1
SCHEMBL6195048 0.84 OPRM1 (0.42) GRIN2B
SCHEMBL6192678 0.83 DRD3 (0.44) GRIN2BSLC18A3HTR1AALDH1A1SMN1; SMN2
SCHEMBL7056625 0.83 EPHX1 (0.51) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6192829 0.82 MEN1 (0.35) GRIN2BSLC18A3HTR1ASIGMAR1ALDH1A1
SCHEMBL6194363 0.81 FASN (0.45) SLC18A3ALDH1A1HRH3KDM4EKMT2A

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 GRIN2B 195/4885SLC18A3 100/4885HTR1A 1/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C GRIN2B 202/4885SLC18A3 172/4885HTR1A 1/4885

“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.