SCHEMBL4527775

SCHEMBL4527775

O=C(O)c1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.57
DRD2 P14416 5/20 0.57
DRD3 P35462 5/20 0.57
HTR7 P34969 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 4/20 0.53
ATM Q13315 1/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7469793 0.91 DRD4 (0.57) DRD4DRD2DRD3HTR7SIGMAR1
SCHEMBL8745020 0.90 ITGB3 (0.52) DRD4DRD2DRD3HTR7MAPT
SCHEMBL3243301 0.90 LMNA (0.60) DRD4DRD2NPSR1TDP1L3MBTL1
SCHEMBL2327148 0.88 DRD4 (0.55) DRD4DRD2DRD3HTR7SIGMAR1
Hydrochloric Acid SCHEMBL2688554 0.87 DRD4 (0.54) DRD4DRD2DRD3HTR7SIGMAR1
SCHEMBL8048603 0.85 ALDH1A1 (0.61) TDP1L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11164060 0.84 DRD4 (0.55) DRD4DRD2DRD3HTR7SIGMAR1
SCHEMBL4520079 0.84 ALDH1A1 (0.68) DRD4DRD2DRD3HTR7MAPT
SCHEMBL4521810 0.84 DRD4 (0.54) DRD4DRD2DRD3HTR7SIGMAR1
SCHEMBL9117228 0.83 PRMT1 (0.54) DRD4DRD2DRD3HTR7SIGMAR1

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
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 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 (2 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R DRD4 1157/4885DRD2 666/4885DRD3 828/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R DRD4 1157/4885DRD2 666/4885DRD3 828/4885

“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.