SCHEMBL22210491

SCHEMBL22210491

COc1cccc(N2CC3C(C2)C3C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
DRD2 P14416 1/20 0.46
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
MGLL Q99685 1/20 0.41
GFER P55789 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL22210514 0.82 HTR3E (0.46) ADRB1MAPTDRD2SMN1; SMN2ALDH1A1
SCHEMBL22209634 0.79 ADRB1 (0.51) ADRB1MAPTNPC1DRD2KCNH2
SCHEMBL22210494 0.79 BPTF (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL22210492 0.79 HTR3E (0.47) ADRB1MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL22209946 0.78 HTR1A (0.47) KCNH2SMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL22210062 0.78 BPTF (0.46) ADRB1MAPTNPC1DRD2SMN1; SMN2
SCHEMBL38660314 0.77 ADRB1 (0.56) ADRB1MAPTNPC1DRD2KCNH2
SCHEMBL26256380 0.77 ALDH1A1 (0.56) ADRB1MAPTNPC1DRD2KCNH2
SCHEMBL22209768 0.76 HTR3A (0.50)
SCHEMBL31411568 0.76 ADRB1 (0.55) ADRB1MAPTNPC1DRD2KCNH2

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 ADRB1 351/4885MAPT 2202/4885NPC1 984/4885

“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.