SCHEMBL19567883

SCHEMBL19567883

C[C@]1(CC#N)CC[C@H](NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ ACHE P22303 3/20 0.45
▸ BACE1 P56817 3/20 0.45
▸ BCHE P06276 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ MAOA P21397 1/20 0.36

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
SCHEMBL19567413 1.00 POLB (0.54) POLBACHEBACE1BCHEMEN1
SCHEMBL19567649 1.00 POLB (0.54) POLBACHEBACE1BCHEMEN1
SCHEMBL19567380 0.86 JAK2 (0.44) POLBACHEBACE1BCHEMEN1
SCHEMBL19567372 0.86 LOXL2 (0.45) JAK2JAK1OPRM1OPRL1HRH3
SCHEMBL19567880 0.86 JAK2 (0.44) POLBACHEBACE1BCHEMEN1
SCHEMBL24092999 0.86 JAK2 (0.44) POLBACHEBACE1BCHEMEN1
SCHEMBL19567370 0.86 LOXL2 (0.45) JAK2JAK1OPRM1OPRL1HRH3
SCHEMBL19567419 0.86 OPRM1 (0.55) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL19567386 0.86 OPRM1 (0.55) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL19567382 0.84 POLB (0.51) POLBACHEBACE1BCHEMEN1

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 5 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
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 — — 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 (3 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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 POLB 2765/4885ACHE 4574/4885BACE1 2288/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 POLB 2765/4885ACHE 4574/4885BACE1 2288/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 POLB 2765/4885ACHE 4574/4885BACE1 2288/4885

“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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