SCHEMBL6694713

SCHEMBL6694713

N=C(NCc1cccc2ccccc12)NC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.70
DRD4 P21917 10/20 0.62
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
KMT2A Q03164 1/20 0.54
MCHR1 Q99705 1/20 0.51
CCR3 P51677 1/20 0.51

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 0.87 SIGMAR1 (0.58) SIGMAR1DRD4DRD2CCR3
SCHEMBL6704795 0.86 MEN1 (0.51) SIGMAR1KMT2A
SCHEMBL6694717 0.83 KDM4E (0.60) SIGMAR1KMT2A
SCHEMBL6702902 0.81 MAPT (0.57) SIGMAR1DRD4
SCHEMBL6703098 0.81 KMT2A (0.50) SIGMAR1DRD4KMT2ACCR3
SCHEMBL9592361 0.80 DRD4 (0.69) SIGMAR1DRD4DRD2DRD3MCHR1
SCHEMBL6702833 0.80 KMT2A (0.51) SIGMAR1KMT2ACCR3
SCHEMBL6702012 0.80 DRD4 (0.52) SIGMAR1DRD4MCHR1
SCHEMBL6702176 0.79 DRD4 (0.53) SIGMAR1DRD4KMT2A
SCHEMBL6701288 0.78 RAB9A (0.55) SIGMAR1MCHR1CCR3

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 1 patent. 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

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 SIGMAR1 22/4885DRD4 331/4885DRD2 151/4885

“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.