SCHEMBL4522448

SCHEMBL4522448

Nc1ccccc1C1CNCCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.39
PARP1 P09874 1/20 0.36
HTR2C P28335 3/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 1/20 0.32
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31

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
Hydrochloric Acid SCHEMBL4684123 0.98 GID4 (0.38) GID4PARP1HTR2CHTR2AHTR2B
SCHEMBL27976572 0.86 PARP1 (0.37) GID4PARP1HTR2CHTR2AHTR2B
SCHEMBL25627881 0.84 GID4 (0.42) GID4CHRNB4CHRNA3CYP3A4ALOX15
SCHEMBL18044114 0.83 CYP3A4 (0.41) GID4PARP1HTR2CHTR2AHTR2B
SCHEMBL27791552 0.80 PARP1 (0.34) GID4PARP1HTR2CHTR2AHTR2B
SCHEMBL28869985 0.79 PARP1 (0.40) GID4PARP1HTR2CHTR2BCYP3A4
SCHEMBL20139214 0.78 HTR2C (0.50) HTR2CHTR2AHTR2BTAAR1
SCHEMBL263979 0.78 HTR2C (0.42) PARP1HTR2CHTR2AHTR2BTAAR1
SCHEMBL7332257 0.78 HTR2C (0.50) HTR2CHTR2AHTR2BTAAR1
SCHEMBL4533549 0.78 KDM1A (0.40) HTR2CHTR2AHTR2BCHRNB4CHRNA3

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 GID4 921/4885PARP1 3070/4885HTR2C 70/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R GID4 921/4885PARP1 3070/4885HTR2C 70/4885

“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.