SCHEMBL4827803

SCHEMBL4827803

CNN1CCC[C@H](c2cccnc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.59
▸ CHRNA7 P36544 4/20 0.55
▸ CHRNB2 P17787 4/20 0.55
▸ CHRNA4 P43681 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ CHRNB4 P30926 2/20 0.55
▸ CHRNA3 P32297 2/20 0.55
▸ CHRNA2 Q15822 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HTR3E A5X5Y0 1/20 0.55
▸ PSIP1 O75475 1/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ HTR3B O95264 1/20 0.55
▸ CHRNA1 P02708 1/20 0.55
▸ CHRNG P07510 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CHRNB1 P11230 1/20 0.55
▸ CYP2A6 P11509 1/20 0.55
▸ PTGS1 P23219 1/20 0.55

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
SCHEMBL7486085 1.00 CYP11B2 (0.59) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7103330 0.89 CYP11B2 (0.55) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7485794 0.89 CYP11B2 (0.55) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7097811 0.85 CHRNA7 (0.50) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7103827 0.85 CHRNA7 (0.50) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7489467 0.84 CYP11B2 (0.58) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL7489699 0.84 CYP11B2 (0.58) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL30434052 0.78 CYP11B2 (0.88) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL26154135 0.78 CYP11B2 (0.88) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL6095783 0.78 CYP11B2 (0.96) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1

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
JP-2003500402-A — — 2003-01-07 — — JP claimed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 — — EP claimed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 — — WO claimed
US-7332504-B2 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBOTT LABORATORIES (US) 2008-02-19 — — US disclosed
US-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents ABBVIE INC. 2005-02-24 — — US disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 — — EP disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 — — 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 (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-20050043291-A1 Heterocyclic substituted aminoazacycles useful as central nervous system agents GRIN3A, GAP43, GRIN3B CYP11B2 335/4885CHRNA7 27/4885CHRNB2 31/4885

“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.

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