SCHEMBL18588914

SCHEMBL18588914

COC(=O)[C@@H]1C[C@@H](N)[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ MMP2 P08253 1/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7509255 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16674630 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16510371 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3547295 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4595183 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL28776070 0.98 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL3547290 0.98 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL7509251 0.98 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16840443 0.84 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL765252 0.84 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 — — US disclosed
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2019-06-06 — — US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 — — US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 — — US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 — — US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 — — 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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 CHRNB2 46/4885CHRNA4 228/4885CHRNB4 121/4885
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 CHRNB2 48/4885CHRNA4 399/4885CHRNB4 155/4885
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 CHRNB2 48/4885CHRNA4 399/4885CHRNB4 155/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 CHRNB2 48/4885CHRNA4 399/4885CHRNB4 155/4885

“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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