SCHEMBL15412933

SCHEMBL15412933

CC1(O)CCN(c2ccccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.61
ALDH1A1 P00352 10/20 0.61
HPGD P15428 6/20 0.61
TSHR P16473 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
CYP2C9 P11712 5/20 0.59
CYP2D6 P10635 4/20 0.59
CYP2C19 P33261 4/20 0.59
MAPK1 P28482 4/20 0.59
CYP3A4 P08684 3/20 0.59
USP2 O75604 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 4/20 0.57
PLD1 Q13393 1/20 0.56
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
HIF1A Q16665 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL29608904 1.00 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL29608764 0.90 HSD17B10 (0.55) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL30641561 0.87 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL647719 0.84 HSD17B10 (0.58) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL29609270 0.84 HSD17B10 (0.58) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL7914550 0.84 HSD17B10 (0.58) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL29972830 0.84 ALDH1A1 (0.54) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL12194223 0.83 HSD17B10 (0.56) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL22532812 0.82 ALDH1A1 (0.62) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL30032675 0.81 HSD17B10 (0.56) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2

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-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
EP-2872507-A1 AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2015-05-20 EP disclosed
WO-2014011568-A1 AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-16 WO 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-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 HSD17B10 4092/4885ALDH1A1 1065/4885HPGD 2089/4885

“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.