SCHEMBL21374046

SCHEMBL21374046

c1cc(CN2CC3CCC2CN3)ccn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47
TRPV6 Q9H1D0 1/20 0.40
GBA1 P04062 2/20 0.40
BRAF P15056 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL12342526 0.86 BRAF (0.46) CHRNB2CHRNA4BRAFCHRNB4CHRNA3
SCHEMBL10153638 0.86 SIGMAR1 (0.46) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2830200 0.85 BRAF (0.45) CHRNB2CHRNA4BRAFCHRNB4CHRNA3
SCHEMBL7094788 0.82 GBA1 (0.40) CHRNB2CHRNA4GBA1
SCHEMBL10763885 0.82 ALDH1A1 (0.43) CHRNB2CHRNA4GBA1
SCHEMBL643358 0.71 LTA4H (0.57) CHRNB2CHRNA4
SCHEMBL18110705 0.71 LTA4H (0.57) CHRNB2CHRNA4
SCHEMBL2822843 0.71 LTA4H (0.57) CHRNB2CHRNA4
SCHEMBL1367956 0.71 LTA4H (0.57) CHRNB2CHRNA4
SCHEMBL5038432 0.71 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2022-04-07 US disclosed
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
US-11230555-B2 Bicyclic RORγ modulators ESCALIER BIOSCIENCES B.V. (US) 2022-01-25 US disclosed
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
WO-2019177996-A1 BICYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 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 (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-11230555-B2 Bicyclic RORγ modulators RORC, RORA, RORB CHRNB2 793/4885CHRNA4 654/4885TRPV6 2337/4885
US-20210053987-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB CHRNB2 418/4885CHRNA4 369/4885TRPV6 2598/4885
US-20220106329-A1 BICYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB CHRNB2 418/4885CHRNA4 369/4885TRPV6 2598/4885

“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.