SCHEMBL3759730

SCHEMBL3759730

Fc1ccccc1-c1nsc(N2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.50
HTR7 P34969 3/20 0.48
HTR1A P08908 2/20 0.48
HTR6 P50406 2/20 0.48
HTR2B P41595 1/20 0.48
HTR3A P46098 1/20 0.48
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR2A P28223 2/20 0.38
HTR5A P47898 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
Hydrochloric Acid SCHEMBL3766268 0.99 FAAH (0.49) FAAHHTR7HTR1AHTR6HTR2B
SCHEMBL6028644 0.83 CYP1A2 (0.54) FAAHHTR7HTR1AHTR3AKDM4E
SCHEMBL532234 0.80 FAAH (0.55) FAAHNPC1RAB9A
SCHEMBL3772039 0.79 FAAH (0.62) FAAHNPC1RAB9A
SCHEMBL12244725 0.77 HRH3 (0.64) FAAH
Hydrochloric Acid SCHEMBL14488312 0.76 KCNH2 (0.48) FAAHHTR7HTR1ANPC1RAB9A
SCHEMBL15664837 0.76 FAAH (0.53) FAAHHTR7HTR1AHTR6HTR2B
SCHEMBL2006686 0.76 HTR2B (0.46) HTR7HTR1AHTR6HTR2BHTR3A
SCHEMBL3766351 0.75 HTR7 (0.52) FAAHHTR7HTR1AKDM4EMAPT
SCHEMBL2007027 0.75 FAAH (0.51) FAAHHTR7HTR1AHTR6HTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 FAAH 1/4885HTR7 346/4885HTR1A 49/4885

“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.