SCHEMBL3036340

SCHEMBL3036340

COc1ccc(C(CN)C2(OC(C)=O)CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 6/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.48
HTR2A P28223 1/20 0.48
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CTSK P43235 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27714843 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3LMNACNR1
Hydrochloric Acid SCHEMBL6707673 0.84 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL16675669 0.84 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL5872401 0.82 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3LMNACNR1
Acetic Acid SCHEMBL3036343 0.81 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL3710148 0.80 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL12188002 0.78 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL8038687 0.78 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL637250 0.78 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3LMNACNR1
Oxalic Acid SCHEMBL3710175 0.78 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006035457-A1 A PROCESS FOR THE MANUFACTURE OF VENLAFAXINE AND INTERMEDIATES THEREOF AMOLI ORGANICS LTD. (IN) 2006-04-06 WO claimed
US-9604974-B2 Compounds as modulator of JAK-STAT pathway, methods and applications thereof UNIVERSITY OF MYSORE (IN) 2017-03-28 US disclosed
US-20160214968-A1 COMPOUNDS AS MODULATOR OF JAK-STAT PATHWAY, METHODS AND APPLICATIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-07-28 US disclosed
US-20100210719-A1 O-DESMETHYLVENLAFAXINE DR. REDDY'S LABORATORIES LTD. (IN) 2010-08-19 US disclosed
WO-2009009665-A2 O-DESMETHYLVENLAFAXINE DR. REDDY'S LABORATORIES, LTD. (IN) 2009-01-15 WO disclosed
CN-101245021-A Process for synthesizing 1-[2-amido-1-(4-methoxy phenyl)ethyl]cyclohexanol acetate SHANGHAI HUASHI MEDICAL HI TEC (CN) 2008-08-20 CN disclosed
EP-1721889-A1 Process for the preparation of phenethylamine derivatives Dishman Pharmaceuticals & Chemicals Ltd. (IN) 2006-11-15 EP disclosed
WO-2006035457-A1 A PROCESS FOR THE MANUFACTURE OF VENLAFAXINE AND INTERMEDIATES THEREOF AMOLI ORGANICS LTD. (IN) 2006-04-06 WO disclosed
US-20050033088-A1 Process for the preparation of phenethylamine derivative, an intermediate of Venlafaxine hydrochloride DR. REDDY'S LABORATORIES LIMITED 2005-02-10 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 (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-20100210719-A1 O-DESMETHYLVENLAFAXINE SLC6A4, SLC6A2, CYP2D6 SLC6A2 2/4885SLC6A4 1/4885SLC6A3 7/4885
US-20160214968-A1 COMPOUNDS AS MODULATOR OF JAK-STAT PATHWAY, METHODS AND APPLICATIONS THEREOF STAT3, STAT1, JAK2 SLC6A2 4791/4885SLC6A4 4636/4885SLC6A3 4618/4885
US-20050033088-A1 Process for the preparation of phenethylamine derivative, an intermediate of Venlafaxine hydrochloride COMT, PNMT, MAOA SLC6A2 4/4885SLC6A4 10/4885SLC6A3 5/4885

“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.