SCHEMBL6700639

SCHEMBL6700639

C1C[C@H](N2CCOCC2)CN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3R1 P27986 1/20 0.34
CYP2A13 Q16696 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRL1 P41146 2/20 0.33
DPP4 P27487 1/20 0.33
PIK3R2 O00459 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
KHK P50053 2/20 0.32
SLC6A4 P31645 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL1485038 1.00 HTR6 (0.50) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL1485035 1.00 HTR6 (0.50) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL38659074 0.98 HTR6 (0.48) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
Ammonia Solution, Strong SCHEMBL19410112 0.98 HTR6 (0.48) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL2200285 0.98 HTR6 (0.48) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL2200278 0.98 HTR6 (0.48) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
Bromide SCHEMBL1307460 0.98 HTR6 (0.48) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL31209302 0.92 HTR6 (0.53) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL22527614 0.92 HTR6 (0.53) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL18123339 0.88 HTR6 (0.57) HTR6SMN1; SMN2PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 WO disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 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 (2 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 HTR6 1309/4885SMN1; SMN2 2884/4885PIK3CD 2136/4885
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 HTR6 1239/4885SMN1; SMN2 4326/4885PIK3CD 398/4885

“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.