SCHEMBL6698809

SCHEMBL6698809

COc1ccccc1N1CCN(C(=O)NC(=N)NCc2cccc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.68
DRD3 P35462 6/20 0.56
DRD2 P14416 4/20 0.56
NPC1 O15118 2/20 0.56
FAAH O00519 2/20 0.53
CNR1 P21554 1/20 0.53
HTR1A P08908 5/20 0.51
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL6699018 0.86 FAAH (0.55) HTR7FAAHMAPT
SCHEMBL6989152 0.81 FAAH (0.54) HTR7FAAHMAPTGAA
SCHEMBL6698817 0.81 HTR7 (1.00) HTR7DRD3DRD2NPC1FAAH
SCHEMBL6695899 0.81 KMT2A (0.61) FAAHMAPTGAA
SCHEMBL6701693 0.80 HTR7 (0.57) HTR7DRD3DRD2NPC1FAAH
SCHEMBL6698803 0.78 FAAH (0.47) FAAHMAPTGAA
SCHEMBL6694717 0.76 KDM4E (0.60) HTR7FAAHHTR1AMAPTRAB9A
SCHEMBL6990296 0.75 FAAH (0.55) FAAHMAPT
SCHEMBL6699343 0.74 EPHX2 (0.47) FAAHMAPTGAA
SCHEMBL6702816 0.73 HTR1A (0.51) HTR7DRD3DRD2NPC1HTR1A

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 HTR7 1/4885DRD3 300/4885DRD2 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.