SCHEMBL6699018

SCHEMBL6699018

COc1ccccc1CN1CCN(C(=O)NC(=N)NCc2cccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 6/20 0.55
ALOX15 P16050 1/20 0.53
HTR7 P34969 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.49
PKM P14618 1/20 0.48
LMNA P02545 2/20 0.48
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
CYP2D6 P10635 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6698809 0.86 HTR7 (0.68) FAAHHTR7MAPT
SCHEMBL6694717 0.85 KDM4E (0.60) FAAHKDM4EALDH1A1ALOX15HTR7
SCHEMBL6699776 0.82 CXCR4 (0.54) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL6989152 0.81 FAAH (0.54) FAAHKDM4EALDH1A1ALOX15HTR7
SCHEMBL6699023 0.81 HTR7 (0.77) FAAHKDM4EALDH1A1ALOX15HTR7
SCHEMBL6695899 0.81 KMT2A (0.61) FAAHKDM4EALDH1A1MEN1KMT2A
SCHEMBL6698803 0.78 FAAH (0.47) FAAHMEN1KMT2AMAPT
SCHEMBL6990296 0.77 FAAH (0.55) FAAHKDM4EALDH1A1ALOX15MEN1
SCHEMBL6702949 0.77 HTT (0.53) FAAHALDH1A1ALOX15MEN1KMT2A
SCHEMBL6704080 0.75 ALDH1A1 (0.49) FAAHKDM4EALDH1A1ALOX15MEN1

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 FAAH 134/4885KDM4E 3900/4885ALDH1A1 1696/4885

“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.