SCHEMBL169959

SCHEMBL169959

O=C1CCN(c2cc[nH]c(=O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
HRH3 Q9Y5N1 2/20 0.43
HSD17B10 Q99714 2/20 0.39
IP6K1 Q92551 4/20 0.38
IP6K3 Q96PC2 2/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CA P42336 1/20 0.34
KCNQ2 O43526 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8666063 0.85 HSD17B10 (0.53) MAPK1HRH3HSD17B10IP6K1IP6K3
SCHEMBL23759875 0.81 ADRB1 (0.51) ALDH1A1HTR3EHTR3BTP53CYP1A2
SCHEMBL22150604 0.80 PIK3CA (0.49) HRH3ALDH1A1KMT2AMEN1MAPT
SCHEMBL18436001 0.80 ADRA2C (0.47) MAPK1HRH3HSD17B10ALDH1A1KMT2A
SCHEMBL19264139 0.79 HRH3 (0.53) MAPK1HRH3HSD17B10IP6K1IP6K3
SCHEMBL21336580 0.76 HRH3 (0.64) MAPK1HRH3ALDH1A1MAPT
SCHEMBL19012650 0.76 HRH3 (0.43) MAPK1HRH3HSD17B10IP6K1IP6K3
SCHEMBL784768 0.74 HRH3 (0.49) MAPK1HRH3CYP3A4LRRK2
SCHEMBL1039248 0.73 IP6K1 (0.58) HRH3IP6K1ALDH1A1NOTUMMAPT
SCHEMBL4588673 0.70 MAPT (0.47) MAPK1HRH3ALDH1A1MAPTHTR2C

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MAPK1 74/4885HRH3 3709/4885HSD17B10 2252/4885

“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.