SCHEMBL6701701

SCHEMBL6701701

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.67
MAPT P10636 4/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
DRD3 P35462 3/20 0.44
FAAH O00519 2/20 0.44
TSHR P16473 1/20 0.44
DRD2 P14416 1/20 0.44
CNR1 P21554 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL6702819 0.83 HTR7 (0.57) HTR7MAPTRAB9AGAACA12
SCHEMBL6701693 0.81 HTR7 (0.57) HTR7MAPTRAB9ANPC1GAA
SCHEMBL6698817 0.80 HTR7 (1.00) HTR7MAPTRAB9ANPC1GAA
SCHEMBL6698809 0.72 HTR7 (0.68) HTR7MAPTRAB9ANPC1GAA
SCHEMBL8362372 0.70 TSHR (0.68) RAB9ALMNADRD3TSHRDRD2
SCHEMBL30747784 0.70 TSHR (0.68) RAB9ALMNADRD3TSHRDRD2
SCHEMBL6702816 0.69 HTR1A (0.51) HTR7MAPTRAB9ANPC1GAA
SCHEMBL18541844 0.68 ALDH1A1 (0.68) MAPTRAB9ALMNADRD3TSHR
SCHEMBL7803129 0.67 DRD2 (0.61) MAPTRAB9ALMNADRD3TSHR
SCHEMBL6699023 0.67 HTR7 (0.77) HTR7MAPTLMNAHTTFAAH

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 1/4885MAPT 2819/4885RAB9A 1043/4885

“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.