SCHEMBL20101593

SCHEMBL20101593

O=C(c1ccc(-c2ccncc2)cc1)N1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.49
▸ CHRNB4 P30926 3/20 0.49
▸ CHRNA3 P32297 3/20 0.49
▸ CHRNA4 P43681 3/20 0.49
▸ CHRNA7 P36544 2/20 0.49
▸ GHSR Q92847 1/20 0.45
▸ SLC6A7 Q99884 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ LSS P48449 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TLR9 Q9NR96 3/20 0.39
▸ TLR8 Q9NR97 3/20 0.39
▸ TLR7 Q9NYK1 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ ATXN2 Q99700 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
SCHEMBL16962831 0.89 SLC6A7 (0.47) SLC6A7LSSHTR2BHPGDATXN2
SCHEMBL16962830 0.89 SLC6A7 (0.47) SLC6A7LSSHTR2BHPGDATXN2
SCHEMBL21323113 0.89 SLC6A7 (0.47) SLC6A7LSSHTR2BHPGDATXN2
SCHEMBL20107136 0.89 SLC6A7 (0.47) SLC6A7LSSHTR2BHPGDATXN2
SCHEMBL20101594 0.88 MKNK1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL21323107 0.88 LSS (0.39) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL21323230 0.88 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16963841 0.88 LSS (0.39) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16961652 0.88 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL16961655 0.88 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — US disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 — — 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 (2 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB CHRNB2 2107/4885CHRNB4 1950/4885CHRNA3 1726/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB CHRNB2 2243/4885CHRNB4 2271/4885CHRNA3 1792/4885

“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.

Send feedback