SCHEMBL6701693

SCHEMBL6701693

COc1ccccc1N1CCN(C(=O)NC(=N)N[C@H](C)c2cccc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.57
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 6/20 0.48
RAB9A P51151 1/20 0.48
DRD3 P35462 3/20 0.48
FAAH O00519 2/20 0.48
DRD2 P14416 2/20 0.48
CNR1 P21554 1/20 0.48
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 5/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HIF1A Q16665 2/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
NR1I2 O75469 1/20 0.47
NR3C1 P04150 1/20 0.47

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
SCHEMBL6702816 0.84 HTR1A (0.51) HTR7MEN1KMT2AMAPTRAB9A
SCHEMBL6701701 0.81 HTR7 (0.67) HTR7MEN1KMT2AMAPTRAB9A
SCHEMBL6698809 0.80 HTR7 (0.68) HTR7MAPTRAB9ADRD3FAAH
SCHEMBL6698817 0.72 HTR7 (1.00) HTR7MAPTRAB9ADRD3FAAH
SCHEMBL27503494 0.72 SSTR4 (0.53) MEN1KMT2AGAALMNA
SCHEMBL24913640 0.70 KIT (0.48) MEN1KMT2AKCNH2
SCHEMBL18541844 0.69 ALDH1A1 (0.68) MEN1KMT2AMAPTRAB9ADRD3
SCHEMBL1423195 0.69 AKR1C3 (0.66) MEN1KMT2ARAB9ADRD3DRD2
SCHEMBL16026545 0.68 PKM (0.74) MEN1KMT2ARAB9ADRD3DRD2
SCHEMBL27829788 0.68 AKR1C3 (0.83) MEN1KMT2ARAB9ADRD3DRD2

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 HTR7 1/4885MEN1 3611/4885KMT2A 4351/4885

“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.