SCHEMBL4130870

SCHEMBL4130870

Fc1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
THRB P10828 3/20 0.46
IL4I1 Q96RQ9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SCD O00767 3/20 0.42
PAX8 Q06710 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL4134283 0.90 SCD (0.42) HRH3SCD
SCHEMBL4134769 0.87 TP53 (0.46) TP53MAPTNPC1RAB9ATHRB
SCHEMBL4137314 0.87 DYRK3 (0.44) TP53MAPTNPC1RAB9AHRH3
SCHEMBL4288681 0.86 SCD (0.50) MAPTNPC1RAB9AHRH3MEN1
SCHEMBL4928039 0.86 CNR2 (0.60) TP53MAPTNPC1RAB9ATHRB
SCHEMBL4130690 0.86 CHRNA7 (0.46) TP53MAPTNPC1RAB9AHRH3
SCHEMBL4137768 0.86 SCD (0.41) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL4139963 0.85 SCD (0.41) TP53MAPTNPC1RAB9ATHRB
SCHEMBL4125567 0.84 NPC1 (0.40) TP53MAPTNPC1RAB9ATHRB
SCHEMBL4130456 0.84 HRH3 (0.46) NPC1RAB9AHRH3PAX8KDM2B

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-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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 (1 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 TP53 3939/4885MAPT 1220/4885NPC1 2854/4885

“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.