SCHEMBL4139985

SCHEMBL4139985

CCc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
SCD O00767 4/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
PPARG P37231 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 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
SCHEMBL4136855 0.91 LMNA (0.40) LMNANPC1RAB9ASCDMEN1
SCHEMBL4137144 0.89 LMNA (0.39) LMNANPC1RAB9ASCDMEN1
SCHEMBL4140025 0.88 SCD (0.40) LMNANPC1RAB9ASCDMEN1
SCHEMBL4278806 0.87 SCD (0.47) LMNANPC1RAB9ASCDMEN1
SCHEMBL4140017 0.87 NPC1 (0.43) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL4125766 0.86 TP53 (0.44) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4288681 0.85 SCD (0.50) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL4282407 0.85 MAPT (0.47) NPC1RAB9ASCDMEN1KMT2A
SCHEMBL4130690 0.85 CHRNA7 (0.46) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4146944 0.84 NPC1 (0.41) LMNANPC1RAB9ASCDMEN1

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 LMNA 4595/4885NPC1 2854/4885RAB9A 2320/4885

“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.