SCHEMBL4134856

SCHEMBL4134856

c1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SCD O00767 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.35
KLF5 Q13887 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL4123006 0.94 NPC1 (0.36) CSNK1ENPC1RAB9ASCDMEN1
SCHEMBL4936573 0.93 KCNH2 (0.37) CSNK1EHRH3KDM2BMEN1KMT2A
SCHEMBL4130690 0.89 CHRNA7 (0.46) NPC1RAB9AHRH3MEN1KMT2A
SCHEMBL4278806 0.87 SCD (0.47) NPC1RAB9ASCDHRH3KDM2B
SCHEMBL4136820 0.87 HRH3 (0.37) SCDHRH3KDM2B
SCHEMBL4288681 0.87 SCD (0.50) NPC1RAB9ASCDHRH3MEN1
SCHEMBL4282407 0.87 MAPT (0.47) NPC1RAB9ASCDHRH3KDM2B
SCHEMBL4292748 0.86 SCD (0.50) NPC1RAB9ASCDHRH3KDM2B
SCHEMBL4136835 0.86 SCD (0.46) SCDHRH3KDM2BKMT2ACYP1A2
SCHEMBL4135228 0.84 HRH3 (0.43) NPC1RAB9ASCDHRH3KDM2B

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 6 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

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 CSNK1E 3578/4885NPC1 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.