SCHEMBL6192607

SCHEMBL6192607

COc1cccc(N2CCN(C(C(=O)C3CCCCC3)C3CCc4ccccc4N3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
GFER P55789 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 1/20 0.42
CTSK P43235 1/20 0.40
HTR7 P34969 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6193842 0.93 POLB (0.38) KMT2AMEN1GFERTSHRMAPK1
SCHEMBL6194581 0.90 CTSB (0.41) KMT2AMEN1CTSKDRD3DRD2
SCHEMBL6193510 0.89 DRD3 (0.49) KMT2AMEN1TRPV1DRD3DRD2
SCHEMBL6192611 0.88 KMT2A (0.41) KMT2AMEN1TSHRDRD3DRD2
SCHEMBL6192220 0.88 DRD3 (0.39) KMT2AMEN1DRD3DRD2HTR1A
SCHEMBL6192678 0.88 DRD3 (0.44) GFERTSHRMAPK1DRD3DRD2
SCHEMBL6192402 0.87 LMNA (0.41) KMT2AMEN1TSHRDRD3DRD2
SCHEMBL6195525 0.87 RAB9A (0.41) KMT2AMEN1TSHRDRD3DRD2
SCHEMBL6194049 0.87 DRD2 (0.39) DRD2HTR2CRIPK1
SCHEMBL6193548 0.84 NAMPT (0.39) KMT2AMEN1TSHRCTSKHTR7

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 KMT2A 2287/4885MEN1 1822/4885GFER 693/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C KMT2A 3319/4885MEN1 2190/4885GFER 802/4885

“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.