SCHEMBL4679872

SCHEMBL4679872

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.74
MTOR P42345 1/20 0.74
FKBP4 Q02790 1/20 0.74
FKBP5 Q13451 1/20 0.74

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
SCHEMBL6100156 1.00 FKBP1A (0.74) FKBP1AMTORFKBP4FKBP5
SCHEMBL6098871 0.88 FKBP1A (0.71) FKBP1A
SCHEMBL6098874 0.88 FKBP1A (0.71) FKBP1A
SCHEMBL5374016 0.85 FKBP1A (0.58) FKBP1AMTORFKBP4FKBP5
SCHEMBL6100689 0.85 FKBP1A (0.72) FKBP1A
SCHEMBL7761780 0.85 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
SCHEMBL5834991 0.85 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL7187 0.85 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL4766380 0.85 FKBP1A (1.00) FKBP1AMTORFKBP4FKBP5
Gpi-1046 SCHEMBL2191097 0.84 FKBP1A (0.98) FKBP1AMTORFKBP4FKBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
EP-0934263-B1 NON-IMMUNOSUPPRESSANT FKBP ROTAMASE INHIBITORS GUILFORD PHARM INC (US) 2005-11-23 EP claimed
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2005-03-17 US claimed
US-6384056-B1 COGNITION ACTIVATORS AND NERVE AND VISION DISORDERS GPI NIL HOLDINGS, INC. 2002-05-07 US claimed
US-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2002-02-07 US claimed
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US claimed
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP claimed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 US claimed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO claimed
US-7410995-B1 N-linked sulfonamide of heterocyclic thioesters for vision and memory disorders GPI NIL HOLDINGS INC. (US) 2008-08-12 US disclosed
US-7410995-B1 N-linked sulfonamide of heterocyclic thioesters for vision and memory disorders GPI NIL HOLDINGS INC. (US) 2008-08-12 US disclosed
EP-1900726-A1 Heterocyclic thioesters MGI GP, Inc. (US) 2008-03-19 EP disclosed
US-7338976-B1 Heterocyclic esters or amides for vision and memory disorders GPI NIL HOLDINGS, INC. (US) 2008-03-04 US disclosed
US-7338976-B1 Heterocyclic esters or amides for vision and memory disorders GPI NIL HOLDINGS, INC. (US) 2008-03-04 US disclosed
US-6506788-B1 Drugs and methods of using an N-linked urea or carbamate of a heterocyclic thioester for treating a vision disorder, improving vision, treating memory impairment, or enhancing memory performance. GPI NIL HOLDINGS, INC. 2003-01-14 US disclosed
US-6384056-B1 COGNITION ACTIVATORS AND NERVE AND VISION DISORDERS GPI NIL HOLDINGS, INC. 2002-05-07 US disclosed
US-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses GPI NIL HOLDINGS, INC. 2002-02-07 US disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 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-20020016341-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 FKBP1A 237/4885MTOR 548/4885FKBP4 245/4885
US-20050059693-A1 Heterocyclic thioester and ketone hair growth compositions and uses ACOT7, HSD17B7, ZDHHC7 FKBP1A 237/4885MTOR 548/4885FKBP4 245/4885

“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.