SCHEMBL1313176

SCHEMBL1313176

O=C(NCCc1ccccn1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD3 P35462 5/20 0.57
HSD17B10 Q99714 1/20 0.53
HTR1A P08908 3/20 0.53
CASP3 P42574 1/20 0.49
NAMPT P43490 2/20 0.48
HTR2A P28223 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 1/20 0.48
HSD11B1 P28845 1/20 0.47
MEN1 O00255 1/20 0.47
HCRTR1 O43613 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL1312845 0.87 TP53 (0.56) DRD2DRD3HSD17B10HTR1AKDM4E
SCHEMBL17117320 0.81 DRD2 (0.65) DRD2DRD3HTR1AALDH1A1LMNA
SCHEMBL10574244 0.78 HSD17B10 (0.62) DRD2HSD17B10HTR1AKDM4EALDH1A1
SCHEMBL11052244 0.77 DRD2 (0.67) DRD2DRD3ALDH1A1LMNATP53
SCHEMBL6771493 0.77 DRD2 (0.67) DRD2DRD3ALDH1A1LMNATP53
SCHEMBL31298090 0.77 KDM4E (0.66) HSD17B10KDM4EALDH1A1MAPK1HTT
SCHEMBL13873509 0.77 ALDH1A1 (0.50) CASP3NAMPTHTR2AALDH1A1LMNA
SCHEMBL13873568 0.76 EPHX2 (0.57) CASP3NAMPTALDH1A1RAB9AHSD11B1
SCHEMBL13873546 0.75 EPHX2 (0.57) CASP3NAMPTALDH1A1RAB9AHSD11B1
SCHEMBL1313026 0.75 LMNA (0.63) ALDH1A1LMNARAB9AMEN1CYP1A2

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
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US claimed
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 EP claimed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 EP disclosed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 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-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 DRD2 1176/4885DRD3 1873/4885HSD17B10 1683/4885

“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.