SCHEMBL22209802

SCHEMBL22209802

COc1ccc(N2CC3C(C2)C3C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
DRD2 P14416 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 1/20 0.41
SLC18A3 Q16572 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL22209634 0.81 ADRB1 (0.51) ADRB1MAPTKMT2ARAB9ADRD2
SCHEMBL22209630 0.80 HTR3E (0.40) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22210394 0.80 MAPT (0.40) MAPTKMT2ARAB9APOLBSMN1; SMN2
SCHEMBL22209763 0.79 BPTF (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22209765 0.77 NOTUM (0.44) DRD2CA12CA2CA9
SCHEMBL22210514 0.77 HTR3E (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22209766 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4ENPSR1MAPK1
SCHEMBL22209792 0.76 HRH3 (0.49) POLBKDM4EMEN1
SCHEMBL31411741 0.75 HTR3E (0.51) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL22209801 0.75 HTR3A (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 HTR3E 304/4885HTR3B 233/4885ADRB1 351/4885

“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.