SCHEMBL7710592

SCHEMBL7710592

Cc1ccccc1C1(C#N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.46
ADRA1A P35348 6/20 0.46
ADRA1B P35368 6/20 0.46
APP P05067 1/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
PDK2 Q15119 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL12877871 0.88 PDK2 (0.44) TSHRALOX15ATMGPR119PDK2
SCHEMBL29505978 0.87 PDK2 (0.43) TSHRALOX15ATMGPR119PDK2
SCHEMBL31158306 0.87 ADRA1D (0.45) ADRA1DADRA1AADRA1BTSHRALOX15
SCHEMBL29446735 0.87 GPR119 (0.44) TSHRALOX15ATMGPR119PDK2
SCHEMBL1513325 0.87 ADRA1D (0.45) ADRA1DADRA1AADRA1BTSHRALOX15
SCHEMBL4362609 0.87 GPR119 (0.44) TSHRALOX15ATMGPR119PDK2
SCHEMBL7704701 0.87 GPR119 (0.47) TSHRALOX15ATMGPR119PDK2
SCHEMBL21855700 0.87 PDK2 (0.43) TSHRALOX15ATMGPR119PDK2
SCHEMBL3254660 0.86 ADRA1D (0.47) ADRA1DADRA1AADRA1BAPPTSHR
SCHEMBL30074774 0.86 ADRA1D (0.47) ADRA1DADRA1AADRA1BAPPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2014-11-13 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-8859776-B2 Substituted piperidines that increase p53 activity and the uses thereof MERCK SHARP & DOHME CORP. (US) 2014-10-14 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME LLC 2012-08-16 US disclosed
US-6358959-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-19 US disclosed
US-6319932-B1 USEFUL FOR TREATING BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-11-20 US disclosed
US-6274583-B1 Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. 2001-08-14 US disclosed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 US disclosed
WO-2000043374-A1 POLYAZANAPHTHALENONE DERIVATIVES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-07-27 WO disclosed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000027817-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 WO disclosed
US-5977115-A Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. (US) 1999-11-02 US disclosed
US-5922722-A PIPERIDINE OR PIPERAZINE DERIVATIVES TO TREAT BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1999-07-13 US disclosed
EP-0833637-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO INC (US) 1998-07-08 EP disclosed
EP-0833637-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 1998-04-08 EP disclosed
US-5661163-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1997-08-26 US disclosed
WO-1996040136-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 1996-12-19 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 (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-20140336222-A1 SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF TP53, TP53BP1, MDM2 ADRA1D 4609/4885ADRA1A 4610/4885ADRA1B 4678/4885
US-20120208844-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF TP53, MDM2, TP53BP1 ADRA1D 4738/4885ADRA1A 4721/4885ADRA1B 4731/4885

“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.