SCHEMBL22851065

SCHEMBL22851065

CCOC(=O)c1nn(C2CC2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.53
RAB9A P51151 7/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 5/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 1/20 0.47
GLA P06280 1/20 0.44
ELANE P08246 2/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL25302211 0.87 NPC1 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16244492 0.84 ADORA3 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL25784307 0.82 ELANE (0.39) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL26101331 0.79 TSHR (0.41) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL17926767 0.79 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1144418 0.78 PDE4D (0.36)
SCHEMBL21816295 0.78 TSHR (0.42) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL30871686 0.77 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL23456899 0.77 DGAT1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21753510 0.76 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 US disclosed
US-20210017187-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2021-01-21 US disclosed
WO-2020258006-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2020-12-30 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 (3 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-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 NPC1 1455/4885RAB9A 2299/4885ALDH1A1 643/4885
US-20210017187-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 NPC1 1455/4885RAB9A 2299/4885ALDH1A1 643/4885
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof TGFB1, TGFB2, TGFBR1 NPC1 1455/4885RAB9A 2299/4885ALDH1A1 643/4885

“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.