SCHEMBL6702833

SCHEMBL6702833

N=C(NCc1cccc2ccccc12)NC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
SIGMAR1 Q99720 4/20 0.49
ALOX5 P09917 1/20 0.48
EPHX2 P34913 1/20 0.48
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CCR3 P51677 2/20 0.46
LMNA P02545 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
SCHEMBL6695878 0.93 SIGMAR1 (0.58) SIGMAR1EPHX2CCR3
SCHEMBL6708092 0.92 KMT2A (0.47) KMT2AMEN1SIGMAR1ALOX5EPHX2
SCHEMBL6702012 0.91 DRD4 (0.52) SIGMAR1LMNA
SCHEMBL6703098 0.91 KMT2A (0.50) KMT2AMEN1SIGMAR1CCR3
SCHEMBL6700051 0.89 DRD4 (0.54) KMT2AMEN1SIGMAR1CCR3
SCHEMBL6701288 0.89 RAB9A (0.55) SIGMAR1EPHX2CCR3
SCHEMBL6989123 0.89 KMT2A (0.56) KMT2AMEN1SIGMAR1SLC6A4SLC6A3
SCHEMBL6699771 0.88 SIGMAR1 (0.46) KMT2AMEN1SIGMAR1CCR3
SCHEMBL6698789 0.88 ACHE (0.51) KMT2AMEN1SIGMAR1ALOX5
SCHEMBL6702902 0.88 MAPT (0.57) SIGMAR1

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 KMT2A 4351/4885MEN1 3611/4885SIGMAR1 22/4885

“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.