SCHEMBL19568076

SCHEMBL19568076

CC(C)[C@]1(CC#N)CC[C@@H](NCc2cccc(C#N)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ JAK1 P23458 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ EPHX1 P07099 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ ABCB1 P08183 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
SCHEMBL19567881 1.00 MAOA (0.45) MAOAKDM1AMAOBJAK1JAK2
SCHEMBL19567417 1.00 MAOA (0.45) MAOAKDM1AMAOBJAK1JAK2
SCHEMBL19567521 0.86 CARM1 (0.47) MAOAKDM1AMAOBJAK1JAK2
SCHEMBL23514509 0.86 JAK2 (0.42) MAOAKDM1AMAOBJAK1JAK2
SCHEMBL19568085 0.86 JAK2 (0.42) MAOAKDM1AMAOBJAK1JAK2
SCHEMBL23514679 0.86 OPRM1 (0.51) JAK1JAK2OPRM1OPRL1
SCHEMBL19567523 0.86 OPRM1 (0.51) JAK1JAK2OPRM1OPRL1
SCHEMBL24093352 0.86 OPRM1 (0.51) JAK1JAK2OPRM1OPRL1
SCHEMBL19567374 0.85 MAOA (0.47) MAOAKDM1AMAOBJAK1JAK2
SCHEMBL19567390 0.85 MAOA (0.47) MAOAKDM1AMAOBJAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 — — EP disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 — — 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 (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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 MAOA 4120/4885KDM1A 1720/4885MAOB 3031/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 MAOA 4120/4885KDM1A 1720/4885MAOB 3031/4885

“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.

Send feedback