SCHEMBL17610286

SCHEMBL17610286

C[C@H]1CN(C(=O)O)C[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.32
CHRNA3 P32297 8/20 0.32
CHRNA4 P43681 8/20 0.32
CHRNB3 Q05901 4/20 0.32
CHRNA6 Q15825 4/20 0.32
MAPT P10636 1/20 0.31
CHRNB4 P30926 4/20 0.31
CHRNA7 P36544 4/20 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
SCHEMBL2934195 1.00 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2934192 1.00 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17610283 1.00 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2934187 1.00 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29203252 0.83 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29203250 0.83 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL505580 0.83
SCHEMBL3184989 0.82
SCHEMBL1668760 0.82
SCHEMBL665659 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205468-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
EP-3746435-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Inc. (US) 2020-12-09 EP disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 WO disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 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 (5 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 CHRNB2 3945/4885CHRNA3 3834/4885CHRNA4 3910/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 CHRNB2 473/4885CHRNA3 319/4885CHRNA4 433/4885
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP CHRNB2 3852/4885CHRNA3 4258/4885CHRNA4 3927/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A CHRNB2 4761/4885CHRNA3 4769/4885CHRNA4 4713/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 CHRNB2 4709/4885CHRNA3 4852/4885CHRNA4 4876/4885

“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.