SCHEMBL6701288

SCHEMBL6701288

N#Cc1ccc(CN2CCC(CNC(=O)NC(=N)NCc3cccc4ccccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
SIGMAR1 Q99720 1/20 0.47
PRKAA2 P54646 1/20 0.46
CCR3 P51677 3/20 0.46
CHRM4 P08173 3/20 0.45
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
MCHR1 Q99705 1/20 0.41
FAAH O00519 2/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL6695878 0.90 SIGMAR1 (0.58) SIGMAR1CCR3EPHX1EPHX2NPFFR1
SCHEMBL6702012 0.89 DRD4 (0.52) SIGMAR1NPFFR1NPFFR2MCHR1ACHE
SCHEMBL6702833 0.89 KMT2A (0.51) SIGMAR1CCR3EPHX2
SCHEMBL6703098 0.88 KMT2A (0.50) SIGMAR1CCR3FAAHACHE
SCHEMBL6700051 0.86 DRD4 (0.54) SIGMAR1CCR3FAAHACHE
SCHEMBL6698789 0.85 ACHE (0.51) SIGMAR1FAAHACHEBCHE
SCHEMBL6699771 0.85 SIGMAR1 (0.46) SIGMAR1CCR3FAAH
SCHEMBL6702902 0.85 MAPT (0.57) SIGMAR1
SCHEMBL6704083 0.84 EPHX2 (0.47) SIGMAR1EPHX2ACHE
SCHEMBL6708092 0.84 KMT2A (0.47) SIGMAR1EPHX1EPHX2NPFFR1NPFFR2

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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HONG YUFENG (US) 2004-03-04 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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HTR7, HTR1A, HTR2C RAB9A 1043/4885SIGMAR1 22/4885PRKAA2 3289/4885

“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.