SCHEMBL490446

SCHEMBL490446

COC(=O)[C@@H](CC=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ZDHHC7 Q9NXF8 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
SCHEMBL661763 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL187910 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL5606099 0.91 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL8090761 0.84 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL11302194 0.81 TSHR (0.35) SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2336327 0.80 KMT2A (0.45) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL8420441 0.80 KMT2A (0.45) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL2738378 0.80 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL4867613 0.79
SCHEMBL30415488 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2AMEN1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102432466-B Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2013-10-16 CN claimed
CN-102432466-A Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2012-05-02 CN claimed
CN-101952242-B Convergent synthesis of renin inhibitors and intermediates useful therein DPX HOLDINGS BV 2015-05-20 CN disclosed
CN-101896455-B 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE INC 2015-04-29 CN disclosed
US-8969370-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-03 US disclosed
US-20140329845-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-11-06 US disclosed
US-8703791-B2 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2014-04-22 US disclosed
US-20140031380-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-01-30 US disclosed
US-20130310577-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2013-11-21 US disclosed
US-20130310577-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2013-11-21 US disclosed
US-8563279-B2 Convergent synthesis of renin inhibitors and intermediates useful therein DSM IP ASSETS B.V. (NL) 2013-10-22 US disclosed
US-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-01-13 US disclosed
US-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-01-13 US disclosed
US-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-01-13 US disclosed
CN-101896455-A 3-Carboxypropyl-aminotetralin derivatives as mu opioid receptor antagonists THERAVANCE INC 2010-11-24 CN disclosed
EP-2225200-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP Assets B.V. (NL) 2010-09-08 EP disclosed
WO-2010010165-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2010-01-28 WO disclosed
WO-2009080773-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2009-07-02 WO disclosed
WO-2009080773-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN DSM IP ASSETS B.V. (NL) 2009-07-02 WO disclosed
US-20090149535-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 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 (5 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-20110008852-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN REN, ACE, AGT SMN1; SMN2 4665/4885CA14 406/4885CA12 998/4885
US-20090149535-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 SMN1; SMN2 2791/4885CA14 4381/4885CA12 4151/4885
US-20140329845-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 SMN1; SMN2 2791/4885CA14 4381/4885CA12 4151/4885
US-20130310577-A1 CONVERGENT SYNTHESIS OF RENIN INHIBITORS AND INTERMEDIATES USEFUL THEREIN REN, ACE, AGT SMN1; SMN2 4654/4885CA14 412/4885CA12 1000/4885
US-20140031380-A1 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 SMN1; SMN2 2791/4885CA14 4381/4885CA12 4151/4885

“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.