SCHEMBL6733696

SCHEMBL6733696

CC(C)Cc1ccc2nc(N3CCCC[C@H]3C(=O)O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.47
CD274 Q9NZQ7 3/20 0.47
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
ELANE P08246 2/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BRS3 P32247 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36

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
SCHEMBL27559124 0.89 KMT2A (0.45) PDCD1CD274ELANELMNAHTT
SCHEMBL6734526 0.81 ELANE (0.44) PDCD1CD274ELANEALDH1A1HPGD
SCHEMBL6738211 0.78 GABRP (0.42) PDCD1CD274ELANEALDH1A1HPGD
SCHEMBL6733180 0.78 MAPT (0.45) PDCD1CD274ELANEALDH1A1HPGD
SCHEMBL6733860 0.78 ELANE (0.56) ELANEALDH1A1HPGDLMNAHTT
SCHEMBL7685083 0.78 ELANE (0.56) ELANEALDH1A1HPGDLMNAHTT
SCHEMBL6737804 0.77 GABRP (0.50) PDCD1CD274ELANEALDH1A1HPGD
Hydrochloric Acid SCHEMBL7654203 0.77 ELANE (0.55) ELANEALDH1A1HPGDLMNAHTT
SCHEMBL2316032 0.74 ELANE (0.60) ELANEALDH1A1HPGDLMNAHTT
SCHEMBL2313692 0.74 ELANE (0.60) ELANEALDH1A1HPGDLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes PFIZER INC. 2004-03-25 US disclosed
US-6686357-B1 BENZIMIDAZOLO-PIPERIDINE COMPOUND PFIZER, INC. 2004-02-03 US disclosed
US-6509464-B1 1-Heteroaryl-pyrrolidine, piperidine, or homopiperidine derivates; nervous system disorder treatment; amidation PFIZER INC 2003-01-21 US disclosed
US-6495549-B1 1-HETEROARYL-PIPERIDINE DERIVATIVES; MODERATING NEURONAL DEGENERATION; PROMOTING NEURONAL REGENERATION AND OUTGROWTH; TREATOG NEUROLOGICAL DISORDERS ARISING FROM NEURODEGENERATIVE DISEASES OR OTHER DISORDERS INVOLVING NERVE DAMAGE PFIZER INC 2002-12-17 US disclosed
EP-1098894-B1 FKBP INHIBITORS PFIZER LTD (GB) 2002-10-02 EP disclosed
CN-1315951-A FKBP inhibitors PFIZER LTD (US) 2001-10-03 CN disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 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 (1 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-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes FKBP1A, FKBP4, FKBP1B PDCD1 177/4885CD274 319/4885S1PR1 995/4885

“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.