SCHEMBL10246760

SCHEMBL10246760

CCC1CN(C(C)=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.64
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
BRD4 O60885 3/20 0.47
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
HSD17B3 P37058 2/20 0.41
POLB P06746 1/20 0.41
AMPD2 Q01433 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL27603646 0.86 NOTUM (0.62) NOTUMHTR1ADRD2HTR2ABRD4
SCHEMBL18407453 0.84 NOTUM (0.53) NOTUMHTR1ADRD2HTR2ABRD4
SCHEMBL9212320 0.83 NOTUM (0.44) NOTUMHTR1ADRD2HTR2APRKACA
SCHEMBL14230009 0.83 NOTUM (0.48) NOTUMHTR1ADRD2HTR2APRKACA
SCHEMBL7214558 0.83 NOTUM (0.59) NOTUMHTR1ADRD2HTR2ABRD4
SCHEMBL3956544 0.83 NOTUM (0.59) NOTUMHTR1ADRD2HTR2ABRD4
SCHEMBL3956526 0.83 NOTUM (0.59) NOTUMHTR1ADRD2HTR2ABRD4
SCHEMBL3956520 0.83 NOTUM (0.59) NOTUMHTR1ADRD2HTR2ABRD4
SCHEMBL12377535 0.83 NOTUM (0.59) NOTUMHTR1ADRD2HTR2ABRD4
SCHEMBL14200389 0.81 NOTUM (0.46) NOTUMHTR1ADRD2HTR2APRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110804008-A 1, 3-disubstituted indoline derivative and preparation method thereof 陕西科技大学 2020-02-18 CN disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 NOTUM 4244/4885HTR1A 96/4885DRD2 1446/4885

“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.