Sugi Predict

Sugi Predict / Compounds / SCHEMBL6735158

SCHEMBL6735158

SCHEMBL6735158

C[C@@H]1CN(C)C[C@H](C)N1CCNC(=O)[C@@H]1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ LMNA P02545 7/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ TSHR P16473 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ELANE P08246 2/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40

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
SCHEMBL6740425 0.93 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6733748 0.92 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740943 0.92 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740952 0.92 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6738120 0.91 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6738470 0.91 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6738098 0.89 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL7662748 0.88 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740194 0.87 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6739641 0.87 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT

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 5 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

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 ALDH1A1 983/4885L3MBTL1 3971/4885LMNA 4322/4885

“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.