SCHEMBL6196153

SCHEMBL6196153

COc1ccc(CC2CCCN2C(C(=O)C2CCCCC2)C2CCc3ccccc3N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 5/20 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
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
POLB P06746 1/20 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
SCHEMBL6192809 0.98 ATM (0.37) KDM4EALDH1A1KMT2AMEN1NPSR1
SCHEMBL6194843 0.90 ALDH1A1 (0.35) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6192571 0.87 CCR3 (0.36) ATMABHD6DAGLA
SCHEMBL6193780 0.84 ALDH1A1 (0.38) KDM4EALDH1A1KMT2ANPSR1MAPT
SCHEMBL6194309 0.81 RAB9A (0.45) ALDH1A1KMT2AMEN1HCRTR1RAB9A
SCHEMBL6195062 0.80 HSD11B1 (0.40) KDM4EALDH1A1KMT2AMEN1NPSR1
SCHEMBL6193429 0.77 RIPK1 (0.36) ALDH1A1NPSR1MAPTPOLB
SCHEMBL6193842 0.76 POLB (0.38) KDM4EALDH1A1KMT2AMEN1NPSR1
SCHEMBL6193124 0.75 GRIN2B (0.41) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6194715 0.75 SMN1; SMN2 (0.38) KDM4EALDH1A1KMT2AMEN1MAPT

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 9 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
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 KDM4E 3432/4885ALDH1A1 1076/4885KMT2A 2287/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C KDM4E 3928/4885ALDH1A1 595/4885KMT2A 3319/4885

“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.