SCHEMBL6702176

SCHEMBL6702176

Cc1cccc(CN2CCC(CNC(=O)NC(=N)NCc3cccc4ccccc34)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.53
CXCR4 P61073 6/20 0.50
HTT P42858 2/20 0.49
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6704083 0.94 EPHX2 (0.47) DRD4CXCR4HTTACHESIGMAR1
SCHEMBL6702012 0.91 DRD4 (0.52) DRD4CXCR4HTTLMNABCHE
SCHEMBL6695878 0.91 SIGMAR1 (0.58) DRD4CXCR4ACHESIGMAR1
SCHEMBL6702902 0.90 MAPT (0.57) DRD4CXCR4HTTSIGMAR1TP53
SCHEMBL6700016 0.89 DRD4 (0.55) DRD4ACHESIGMAR1MEN1KMT2A
SCHEMBL6703098 0.89 KMT2A (0.50) DRD4CXCR4TSHRACHESIGMAR1
SCHEMBL6699237 0.87 DRD4 (0.53) DRD4CXCR4LMNABCHEACHE
SCHEMBL6702046 0.87 DRD4 (0.55) DRD4SIGMAR1
SCHEMBL6697444 0.87 ALPL (0.49) DRD4CXCR4HTTACHEMEN1
SCHEMBL6708092 0.87 KMT2A (0.47) SIGMAR1MEN1KMT2ATP53MAPT

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 331/4885CXCR4 1024/4885HTT 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.