SCHEMBL4077136

SCHEMBL4077136

NC(=O)C1CCc2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.49
SRD5A1 P18405 3/20 0.43
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAP4K4 O95819 2/20 0.38
IDO1 P14902 1/20 0.38
PDE5A O76074 1/20 0.38
HTR6 P50406 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL5395921 1.00 PIN1 (0.49) PIN1SRD5A1ALDH1A1HTTNPC1
SCHEMBL2823313 0.87 PIN1 (0.49) PIN1IDO1TRPM8
SCHEMBL1340154 0.85 PIN1 (0.50) PIN1SRD5A1ALDH1A1HTTNPC1
SCHEMBL1340548 0.85 PIN1 (0.50) PIN1SRD5A1ALDH1A1HTTNPC1
SCHEMBL1337775 0.85 PIN1 (0.50) PIN1SRD5A1ALDH1A1HTTNPC1
SCHEMBL30368063 0.84 PIN1 (0.48) PIN1SRD5A1ALDH1A1HTTNPC1
SCHEMBL12458588 0.81 PIN1 (0.47) PIN1SRD5A1ALDH1A1HTTNPC1
SCHEMBL12501609 0.80 SRD5A1 (0.43) PIN1SRD5A1TRPV1MAP4K4PDE5A
SCHEMBL15129328 0.80 SIRT1 (0.49) SRD5A1MAP4K4PDE5A
SCHEMBL17361500 0.80 SRD5A1 (0.43) PIN1SRD5A1TRPV1MAP4K4PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US claimed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US claimed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP claimed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US claimed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP claimed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO claimed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US claimed
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP disclosed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US disclosed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP disclosed
EP-1664046-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
WO-2005070901-A2 PYRIMIDYL PHOSPHONATE ANTIVIRAL COMPOUNDS AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2005-08-04 WO disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-03-31 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 (7 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-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 PIN1 976/4885SRD5A1 1218/4885ALDH1A1 3574/4885
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP PIN1 1212/4885SRD5A1 3024/4885ALDH1A1 2933/4885
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B PIN1 2109/4885SRD5A1 98/4885ALDH1A1 985/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B PIN1 2170/4885SRD5A1 95/4885ALDH1A1 1036/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A PIN1 1312/4885SRD5A1 524/4885ALDH1A1 352/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE PIN1 371/4885SRD5A1 2064/4885ALDH1A1 2788/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B PIN1 2103/4885SRD5A1 100/4885ALDH1A1 1005/4885

“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.