Sugi Predict

Sugi Predict / Compounds / SCHEMBL6738568

SCHEMBL6738568

SCHEMBL6738568

C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCCCN1c1nc2cc(F)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRG1 Q8N1C3 2/20 0.40
▸ GABRG3 Q99928 2/20 0.40
▸ GABRQ Q9UN88 2/20 0.40
▸ PTGES O14684 5/20 0.40
▸ HCRTR1 O43613 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
SCHEMBL6738465 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6740425 0.88 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPT
SCHEMBL6741469 0.87 L3MBTL1 (0.43) ALDH1A1L3MBTL1PTGES
SCHEMBL6734129 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1PTGESHPGD
SCHEMBL7460294 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1PTGESMAPTHPGD
SCHEMBL6738923 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1PTGESMAPTHPGD
SCHEMBL7460302 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1PTGESMAPTHPGD
SCHEMBL6738927 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1PTGESMAPTHPGD
SCHEMBL6738470 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPT
SCHEMBL6739641 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPT

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 3971/4885GABRP 887/4885

“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.