SCHEMBL3198071

SCHEMBL3198071

O=Cc1cccnc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.61
HTR3B O95264 4/20 0.61
HTR3A P46098 4/20 0.61
HTR3D Q70Z44 4/20 0.61
HTR3C Q8WXA8 4/20 0.61
HTR1A P08908 3/20 0.61
HTR2C P28335 2/20 0.61
HSD11B1 P28845 1/20 0.61
ALDH1A1 P00352 4/20 0.54
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
DRD4 P21917 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SMO Q99835 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
SCHEMBL3218868 0.83 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3218878 0.83 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31213057 0.82 DRD2 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31213059 0.81 SIRT6 (0.42)
SCHEMBL31213058 0.80 MEN1 (0.48) ALDH1A1TSHRKDM4EHTT
SCHEMBL22597982 0.79 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10964782 0.79 HSD11B1 (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL418557 0.79 DRD4 (0.57) HTR1AALDH1A1TDP1MAPTDRD4
SCHEMBL7235226 0.78 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL10962800 0.78 HSD11B1 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C

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-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 HTR3E 447/4885HTR3B 180/4885HTR3A 377/4885

“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.