SCHEMBL6194131

SCHEMBL6194131

COc1ccc2c(c1)CCC(C(C(=O)C1CCCCC1)N1CCN(c3cccc4[nH]ccc34)CC1)N2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GOT1 P17174 8/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ MTNR1B P49286 1/20 0.40
▸ DRD2 P14416 3/20 0.38
▸ GAA P10253 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ EP300 Q09472 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ ADRA1A P35348 1/20 0.34

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
SCHEMBL6193616 0.90 GOT1 (0.47) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6193059 0.90 GOT1 (0.42) GOT1HTR1ADRD2GAAMAPT
SCHEMBL7056005 0.90 GOT1 (0.37) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6195569 0.89 GAA (0.42) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6194462 0.88 GOT1 (0.43) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6192688 0.88 GAA (0.44) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6194514 0.88 HTR1A (0.42) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6194505 0.87 GAA (0.42) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6193551 0.87 GAA (0.42) GOT1HTR1ADRD2GAAMAPT
SCHEMBL6193987 0.87 GOT1 (0.40) GOT1HTR1ADRD2GAAMAPT

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 GOT1 2108/4885HTR1A 1/4885MTNR1B 102/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C GOT1 1499/4885HTR1A 1/4885MTNR1B 113/4885

“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.

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