SCHEMBL4137314

SCHEMBL4137314

Clc1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
TP53 P04637 4/20 0.42
KMT2A Q03164 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
PAX8 Q06710 2/20 0.40
CNR2 P34972 2/20 0.40
SCD O00767 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL4141339 0.90 HRH3 (0.40) DYRK3CCNT1CDK9DYRK1ADYRK2
SCHEMBL4130870 0.87 TP53 (0.46) HRH3TP53KMT2AKDM2BRAB9A
SCHEMBL4134769 0.87 TP53 (0.46) HRH3TP53KMT2AKDM2BRAB9A
SCHEMBL4282407 0.86 MAPT (0.47) HRH3KMT2AKDM2BRAB9ANPC1
SCHEMBL4130690 0.86 CHRNA7 (0.46) HRH3TP53KMT2ARAB9ANPC1
SCHEMBL4935984 0.86 CNR2 (0.38) HRH3KDM2BCNR2SCDMAPT
SCHEMBL4134766 0.85 PGR (0.41) HRH3CNR2SCDMAPT
SCHEMBL4140017 0.84 NPC1 (0.43) TP53KMT2ARAB9ANPC1PAX8
SCHEMBL4125567 0.84 NPC1 (0.40) TP53KMT2ARAB9ANPC1PAX8
SCHEMBL4130456 0.84 HRH3 (0.46) HRH3KDM2BRAB9ANPC1PAX8

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 DYRK3 3321/4885CCNT1 2785/4885CDK9 2431/4885

“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.