SCHEMBL6699237

SCHEMBL6699237

Cc1ccccc1CN1CCC(CNC(=O)NC(=N)NCc2cccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.53
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
CXCR4 P61073 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ACHE P22303 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BCHE P06276 1/20 0.45
EPHX2 P34913 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6703098 0.94 KMT2A (0.50) DRD4CXCR4KMT2AMEN1ACHE
SCHEMBL6702012 0.89 DRD4 (0.52) DRD4CXCR4ACHELMNATP53
SCHEMBL6695878 0.89 SIGMAR1 (0.58) DRD4CXCR4ACHEHDAC1HDAC8
SCHEMBL6704083 0.88 EPHX2 (0.47) DRD4ALPLALPIALPGCXCR4
SCHEMBL6699776 0.88 CXCR4 (0.54) DRD4ALPLALPIALPGCXCR4
SCHEMBL6702176 0.87 DRD4 (0.53) DRD4CXCR4KMT2AMEN1ACHE
SCHEMBL6702833 0.85 KMT2A (0.51) KMT2AMEN1LMNAEPHX2SIGMAR1
SCHEMBL6697444 0.85 ALPL (0.49) DRD4ALPLALPIALPGCXCR4
SCHEMBL6989123 0.85 KMT2A (0.56) KMT2AMEN1ACHETP53HDAC1
SCHEMBL6700051 0.85 DRD4 (0.54) DRD4CXCR4KMT2AMEN1ACHE

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 331/4885ALPL 2556/4885ALPI 1369/4885

“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.