SCHEMBL6840467

SCHEMBL6840467

Cc1nc(-c2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c(C)c2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.53
HTR1B P28222 8/20 0.53
HTR2A P28223 8/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
SLC6A4 P31645 3/20 0.53
TP53 P04637 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HTR2C P28335 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR1A P08908 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL31415380 0.82 CA12 (0.47) MAPTTP53MAPK1RAB9AHPGD
SCHEMBL8268112 0.82 MAPT (0.60) MAPTTP53MAPK1RAB9AHPGD
SCHEMBL5465792 0.76 PLK1 (0.52) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL6926831 0.75 PLK1 (0.51) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL7445617 0.75 PLK1 (0.51) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL408034 0.75 CYP17A1 (0.46) KDM4EPSMB8CYP17A1HDAC3HDAC1
Hydrochloric Acid SCHEMBL38666104 0.74 HTR1D (0.52) HTR1DHTR1BHTR2AMAPTMEN1
SCHEMBL2700980 0.74 HDAC4 (0.61) HDAC1HDAC8
SCHEMBL38665653 0.73 L3MBTL1 (0.65) HTR1DMAPTMEN1KMT2ATDP1
SCHEMBL203019 0.73 CYP17A1 (0.49) MAPTMEN1KMT2ATP53MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-08 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-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SIGMAR1, HTR6, OPRL1 HTR1D 44/4885HTR1B 7/4885HTR2A 40/4885

“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.