SCHEMBL6192809

SCHEMBL6192809

COc1ccc(CC2CCCCN2C(C(=O)C2CCCCC2)C2CCc3ccccc3N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
FKBP1A P62942 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
HCRTR1 O43613 1/20 0.36
DRD1 P21728 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL6196153 0.98 KDM4E (0.36) ATMKDM4EABHD6DAGLAALDH1A1
SCHEMBL6192571 0.89 CCR3 (0.36) ATMABHD6DAGLAHTR2C
SCHEMBL6194843 0.88 ALDH1A1 (0.35) KDM4EABHD6DAGLAALDH1A1KMT2A
SCHEMBL6193780 0.86 ALDH1A1 (0.38) KDM4EALDH1A1KMT2ANPSR1MAPT
SCHEMBL6195062 0.80 HSD11B1 (0.40) KDM4EALDH1A1KMT2AMEN1NPSR1
SCHEMBL6194309 0.80 RAB9A (0.45) ATMALDH1A1KMT2AMEN1HCRTR1
SCHEMBL6193842 0.76 POLB (0.38) ATMKDM4EALDH1A1KMT2AMEN1
SCHEMBL6193124 0.75 GRIN2B (0.41) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6193429 0.75 RIPK1 (0.36) ALDH1A1NPSR1MAPTHTR2A
SCHEMBL6192607 0.75 KMT2A (0.46) ATMALDH1A1KMT2AMEN1MAPT

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
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 claimed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US claimed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO 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
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

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 ATM 3970/4885KDM4E 3432/4885ABHD6 3584/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C ATM 4634/4885KDM4E 3928/4885ABHD6 3308/4885

“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.