SCHEMBL6502200

SCHEMBL6502200

CC(=O)CN1CCCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.46
PIK3CD O00329 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
BLM P54132 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PER2 O15055 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL12554864 0.98 TSHR (0.56) TSHRKMT2AHTTPIK3CDL3MBTL1
SCHEMBL6935107 0.94 TSHR (0.66) TSHRKMT2AHTTPIK3CDCHRM2
SCHEMBL11315834 0.85
SCHEMBL948880 0.82 TSHR (0.60) TSHRKMT2AHTTPIK3CDL3MBTL1
SCHEMBL24263535 0.80 TSHR (0.89) TSHRKMT2AHTTPIK3CDL3MBTL1
SCHEMBL11036951 0.80 TSHR (0.58) TSHRKMT2AHTTPIK3CDL3MBTL1
SCHEMBL7770891 0.80 TSHR (0.58) TSHRKMT2AHTTPIK3CDL3MBTL1
SCHEMBL596327 0.80 TSHR (0.58) TSHRKMT2AHTTPIK3CDL3MBTL1
SCHEMBL5158837 0.79 TSHR (0.53) TSHRKMT2AHTTPIK3CDL3MBTL1
SCHEMBL20329217 0.79 KMT2A (0.47) TSHRKMT2APIK3CDL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3552664-A1 PROTEOSTASIS REGULATORS Proteostasis Therapeutics, Inc. (US) 2019-10-16 EP disclosed
US-20170247355-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2017-08-31 US disclosed
US-9556166-B2 Proteostasis regulators PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-01-31 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20120316193-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. 2012-12-13 US disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
WO-2009020867-A2 IMMUNOMODULATORY PEPTIDES SYNTONIX PHARMACEUTICALS, INC. (US) 2009-02-12 WO disclosed
US-6841682-B2 Heterocycles useful in the treatment of benign prostatic hyperplasia JANSEEN PHARMACEUTICA N.V. (BE) 2005-01-11 US disclosed
EP-1273572-B1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP disclosed
EP-1273572-A1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-08 EP disclosed
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia HUTCHINGS RICHARD H (US) 2002-11-07 US disclosed
US-6384035-B1 TREATING A DISEASE MEDIATED BY THE .ALPHA.-1.SUB.A ADRENERGIC RECEPTOR COMPRISING ADMINISTERING A COMPOUND ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-05-07 US disclosed
EP-1025085-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-09 EP disclosed
WO-1999019299-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-04-22 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 (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-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TSHR 351/4885KMT2A 2315/4885HTT 2948/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TSHR 351/4885KMT2A 2315/4885HTT 2948/4885
US-20170247355-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 TSHR 4284/4885KMT2A 4321/4885HTT 234/4885
US-20120316193-A1 PROTEOSTASIS REGULATORS PSMG3, VCP, HSPA5 TSHR 4284/4885KMT2A 4321/4885HTT 234/4885
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia ADRA1A, ADRB1, ADRA1D TSHR 667/4885KMT2A 2395/4885HTT 2923/4885

“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.