SCHEMBL19972691

SCHEMBL19972691

N[C@H]1C[C@@]2(CCN(C(=O)O)C2)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 2/20 0.32
GRM5 P41594 1/20 0.32
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ALOX15 P16050 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
USP2 O75604 3/20 0.30
CYP3A4 P08684 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL3723443 1.00 HSD11B1 (0.33) HSD11B1CYP2C19ALDH1A1MAPK1MGLL
SCHEMBL26633897 1.00 HSD11B1 (0.33) HSD11B1CYP2C19ALDH1A1MAPK1MGLL
SCHEMBL9993085 0.88 HRH3 (0.32) CYP2C19ALDH1A1MAPK1HRH3ITGB3
SCHEMBL29068520 0.87 ITGB3 (0.34) HSD11B1CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL9993653 0.84 CYP2C19 (0.32) CYP2C19
SCHEMBL17112822 0.83 GRM5 (0.38) HSD11B1GRM5HRH3ITGB3ITGA2B
SCHEMBL27372532 0.82 HSD11B1 (0.34) HSD11B1CYP2C19ALDH1A1MAPK1MGLL
SCHEMBL3719967 0.82 HSD11B1 (0.34) HSD11B1CYP2C19ALDH1A1MAPK1MGLL
SCHEMBL9994762 0.80 LOXL2 (0.33) HSD11B1CYP2C19ALDH1A1MAPK1MGLL
SCHEMBL29418104 0.79 HSD11B1 (0.42) HSD11B1CYP2C19ALDH1A1MAPK1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 EP disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP disclosed
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-06-17 US disclosed
US-10899758-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2021-01-26 US disclosed
EP-3512850-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-07-24 EP disclosed
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-07-04 US disclosed
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 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 (6 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT HSD11B1 853/4885CYP2C19 1361/4885ALDH1A1 982/4885
US-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 HSD11B1 3031/4885CYP2C19 4533/4885ALDH1A1 4369/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 HSD11B1 3031/4885CYP2C19 4533/4885ALDH1A1 4369/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HSD11B1 3031/4885CYP2C19 4533/4885ALDH1A1 4369/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HSD11B1 3031/4885CYP2C19 4533/4885ALDH1A1 4369/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HSD11B1 3031/4885CYP2C19 4533/4885ALDH1A1 4369/4885

“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.