SCHEMBL6704083

SCHEMBL6704083

Cc1cc(C)cc(CN2CCC(CNC(=O)NC(=N)NCc3cccc4ccccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD4 P21917 3/20 0.45
CXCR4 P61073 4/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ACHE P22303 1/20 0.43
DRD2 P14416 1/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
TACR1 P25103 1/20 0.42

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
SCHEMBL6702176 0.94 DRD4 (0.53) SIGMAR1HTTMEN1KMT2ADRD4
SCHEMBL6702012 0.92 DRD4 (0.52) SIGMAR1HTTDRD4CXCR4TP53
SCHEMBL6695878 0.90 SIGMAR1 (0.58) EPHX2SIGMAR1DRD4CXCR4ACHE
SCHEMBL6703098 0.90 KMT2A (0.50) SIGMAR1MEN1KMT2ADRD4CXCR4
SCHEMBL6708092 0.89 KMT2A (0.47) EPHX2SIGMAR1MEN1KMT2ATP53
SCHEMBL6699237 0.88 DRD4 (0.53) EPHX2SIGMAR1MEN1KMT2ADRD4
SCHEMBL6702902 0.87 MAPT (0.57) SIGMAR1HTTDRD4CXCR4TP53
SCHEMBL6702833 0.86 KMT2A (0.51) EPHX2SIGMAR1MEN1KMT2A
SCHEMBL6700016 0.86 DRD4 (0.55) SIGMAR1MEN1KMT2ADRD4MAPT
SCHEMBL6700051 0.86 DRD4 (0.54) SIGMAR1MEN1KMT2ADRD4CXCR4

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 EPHX2 2485/4885SIGMAR1 22/4885HTT 1104/4885

“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.