SCHEMBL21074670

SCHEMBL21074670

c1ccc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.54
▸ CHRNA4 P43681 3/20 0.54
▸ CHRNB4 P30926 2/20 0.54
▸ CHRNA3 P32297 2/20 0.54
▸ CHRNA1 P02708 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ CHRNG P07510 1/20 0.54
▸ CHRNB1 P11230 1/20 0.54
▸ CHRNA5 P30532 1/20 0.54
▸ CHRNA7 P36544 1/20 0.54
▸ HTR3A P46098 1/20 0.54
▸ CHRND Q07001 1/20 0.54
▸ CHRNA2 Q15822 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.50

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
SCHEMBL30930844 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL21074781 0.88 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL21074730 0.87 CHRNB4 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL16905604 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1PDGFRBKDRFLT3
SCHEMBL21074657 0.82 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL18309474 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1PDGFRBKDRFLT3
SCHEMBL22725265 0.78 NPC1 (0.62) SMN1; SMN2NPC1PDGFRBKDRFLT3
SCHEMBL19561455 0.77 SMN1; SMN2 (0.50) SMN1; SMN2NPC1PDGFRBKDRFLT3
SCHEMBL29761231 0.76 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6886940 0.76 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084853-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-08-10 — — US disclosed
US-20210206831-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2021-07-08 — — US disclosed
US-10961296-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-03-30 — — US disclosed
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2019-06-06 — — 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-20210206831-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885CHRNB4 78/4885
US-11084853-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 CHRNB2 84/4885CHRNA4 65/4885CHRNB4 81/4885
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885CHRNB4 78/4885
US-10961296-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885CHRNB4 78/4885

“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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