SCHEMBL6098871

SCHEMBL6098871

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)CCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.71

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
SCHEMBL6098874 1.00 FKBP1A (0.71) FKBP1A
SCHEMBL6100689 0.97 FKBP1A (0.72) FKBP1A
SCHEMBL6099159 0.96 FKBP1A (0.71) FKBP1A
SCHEMBL6099684 0.91 FKBP1A (0.59) FKBP1A
SCHEMBL6099679 0.91 FKBP1A (0.59) FKBP1A
SCHEMBL4679872 0.88 FKBP1A (0.74) FKBP1A
SCHEMBL6100156 0.88 FKBP1A (0.74) FKBP1A
SCHEMBL6428074 0.87 FKBP1A (0.71) FKBP1A
SCHEMBL6428204 0.87 FKBP1A (0.71) FKBP1A
SCHEMBL4785106 0.86 FKBP1A (0.69) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106652-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. 2004-06-03 US claimed
US-20020193420-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. (US) 2002-12-19 US claimed
US-20010056103-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. 2001-12-27 US claimed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 US claimed
US-6984639-B2 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. (US) 2006-01-10 US disclosed
EP-0934263-B1 NON-IMMUNOSUPPRESSANT FKBP ROTAMASE INHIBITORS GUILFORD PHARM INC (US) 2005-11-23 EP disclosed
US-20050148637-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. 2005-07-07 US disclosed
US-20040106652-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. 2004-06-03 US disclosed
US-20020193420-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. (US) 2002-12-19 US disclosed
US-6417209-B2 NON-IMMUNOSUPPRESSIVE, PIPERIDINO OR PYRROLIDINO AMIDE DERIVATIVE HAS AN AFFINITY FOR AN FKBP-TYPE IMMUNOPHILIN, USEFUL FOR TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS GPI NIL HOLDINGS, INC. 2002-07-09 US disclosed
US-6384056-B1 COGNITION ACTIVATORS AND NERVE AND VISION DISORDERS GPI NIL HOLDINGS, INC. 2002-05-07 US disclosed
US-20010056103-A1 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. 2001-12-27 US disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 US disclosed
US-5990131-A OF GIVEN FORMULA WHICH HAVE A HIGH AFFINITY FOR FKBPS (FK506 BINDING PROTEINS, A CLASS OF IMMUNOPHILINS) ARE POTENT ROTAMASE INHIBITORS AND EXHIBIT EXCELLENT NEUROTROPHIC EFFECTS; NO IMMUNOSUPPRESSIVE ACTIVITY GPI NIL HOLDINGS INC. (US) 1999-11-23 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 (4 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-20010056103-A1 Heterocyclic ketone and thioester compounds and uses BDNF, NTRK2, NTRK1 FKBP1A 955/4885
US-20050148637-A1 Heterocyclic ketone and thioester compounds and uses BDNF, NTRK2, NTRK1 FKBP1A 955/4885
US-20040106652-A1 Heterocyclic ketone and thioester compounds and uses BDNF, NTRK2, NTRK1 FKBP1A 955/4885
US-20020193420-A1 Heterocyclic ketone and thioester compounds and uses BDNF, NTRK2, NTRK1 FKBP1A 955/4885

“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.