SCHEMBL3714517

SCHEMBL3714517

O=CNCC1CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 8/20 0.35
SLC6A3 Q01959 6/20 0.35
HTR2A P28223 3/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2C P18825 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CHEK1 O14757 4/20 0.33
KCNH2 Q12809 2/20 0.32
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
Hydrochloric Acid SCHEMBL10511156 0.98 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL10512086 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL23323126 0.81 CHEK1 (0.35) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL35211754 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL35210885 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL10916638 0.80 BRD4 (0.36) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL1258972 0.76
SCHEMBL2263908 0.76 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL17131022 0.76 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL7286292 0.76 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
CN-110938068-B N- (morpholin-2-ylmethyl) amide derivatives and uses thereof 广东东阳光药业有限公司 2022-12-23 CN disclosed
CN-110938068-B N- (morpholin-2-ylmethyl) amide derivatives and uses thereof 广东东阳光药业有限公司 2022-12-23 CN disclosed
CN-110938068-B N- (morpholin-2-ylmethyl) amide derivatives and uses thereof 广东东阳光药业有限公司 2022-12-23 CN disclosed
CN-110938068-A N- (morpholin-2-ylmethyl) amide derivatives and their use 广东东阳光药业有限公司 2020-03-31 CN disclosed
CN-110938068-A N- (morpholin-2-ylmethyl) amide derivatives and their use 广东东阳光药业有限公司 2020-03-31 CN disclosed
CN-110938068-A N- (morpholin-2-ylmethyl) amide derivatives and their use 广东东阳光药业有限公司 2020-03-31 CN disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-4889857-A BACTERICIDES; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-12-26 US disclosed
EP-0311948-A2 Quinolonecarboxylic acid compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-19 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 (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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR SLC6A2 2184/4885SLC6A4 1145/4885SLC6A3 1805/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ SLC6A2 4767/4885SLC6A4 4403/4885SLC6A3 4412/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 SLC6A2 921/4885SLC6A4 827/4885SLC6A3 1247/4885

“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.