SCHEMBL21074622

SCHEMBL21074622

Cc1nc2cc3c(cc2n(C)c1=O)C1CNCC3C1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 14/20 0.71
▸ CHRNA4 P43681 14/20 0.71
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CHRNA7 P36544 3/20 0.48
▸ CHRNB4 P30926 3/20 0.46
▸ CHRNA3 P32297 3/20 0.46
▸ CHRNA1 P02708 2/20 0.46
▸ CHRNG P07510 2/20 0.46
▸ CHRNB1 P11230 2/20 0.46
▸ CHRND Q07001 2/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ CHRNA5 P30532 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ CHRNA2 Q15822 1/20 0.45

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
SCHEMBL23153171 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL21074620 0.77 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL21074675 0.72 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL11383178 0.71 ALDH1A1 (1.00) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL21074671 0.69 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL21074779 0.69 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL21074658 0.69 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5820941 0.68 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL11369975 0.68 ALDH1A1 (0.69) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL21074720 0.68 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 64/4885KDM4E 4061/4885
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885KDM4E 4061/4885
US-10961296-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885KDM4E 4061/4885

“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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