SCHEMBL18757383

SCHEMBL18757383

CC(C)C(=O)N1CCB(C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CHRNB3 Q05901 1/20 0.40
▸ CHRNA6 Q15825 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ TSHR P16473 3/20 0.31
▸ NAMPT P43490 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ MET P08581 1/20 0.31

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
SCHEMBL22753493 0.73 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546617 0.73 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL674660 0.73 — —
SCHEMBL1106510 0.69 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546653 0.69 — —
SCHEMBL19652203 0.69 MEN1 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20161731 0.69 TET3 (0.35) KMT2A
SCHEMBL25515898 0.69 HRH3 (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL19369141 0.68 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL24583669 0.68 ALDH1A1 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 — — 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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 CHRNB2 4603/4885CHRNA3 4638/4885CHRNA4 4701/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 CHRNB2 4603/4885CHRNA3 4638/4885CHRNA4 4701/4885

“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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