SCHEMBL6702012

SCHEMBL6702012

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.52
TP53 P04637 4/20 0.50
CXCR4 P61073 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
KCNH2 Q12809 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
MCHR1 Q99705 1/20 0.47
HTT P42858 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 2/20 0.45
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
POLB P06746 1/20 0.44

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 0.93 SIGMAR1 (0.58) DRD4CXCR4SIGMAR1ACHENPFFR1
SCHEMBL6704083 0.92 EPHX2 (0.47) DRD4TP53CXCR4SIGMAR1HTT
SCHEMBL6702176 0.91 DRD4 (0.53) DRD4TP53CXCR4SIGMAR1HTT
SCHEMBL6702833 0.91 KMT2A (0.51) SIGMAR1LMNA
SCHEMBL6703098 0.91 KMT2A (0.50) DRD4CXCR4SIGMAR1ACHEPOLB
SCHEMBL6700051 0.90 DRD4 (0.54) DRD4CXCR4SIGMAR1ACHE
SCHEMBL6699771 0.90 SIGMAR1 (0.46) TP53SIGMAR1HTTPOLB
SCHEMBL6699237 0.89 DRD4 (0.53) DRD4TP53CXCR4SIGMAR1BCHE
SCHEMBL6701288 0.89 RAB9A (0.55) SIGMAR1MCHR1BCHEACHENPFFR1
SCHEMBL6698789 0.88 ACHE (0.51) DRD4SIGMAR1BCHEACHE

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 3 patents. 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
EP-1332127-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS Warner-Lambert Company LLC (US) 2003-08-06 EP disclosed
WO-2002036554-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HTR7, HTR1A, HTR2C DRD4 331/4885TP53 3537/4885CXCR4 1024/4885

“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.