SCHEMBL19567370

SCHEMBL19567370

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ JAK2 O60674 3/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ EGLN2 Q96KS0 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19567372 1.00 LOXL2 (0.45) LOXL2JAK2JAK1KDM1AMAOA
SCHEMBL24092999 0.86 JAK2 (0.44) JAK2JAK1OPRM1OPRL1HRH3
SCHEMBL19567413 0.86 POLB (0.54) JAK2JAK1KDM1AMAOAMAOB
SCHEMBL19567380 0.86 JAK2 (0.44) JAK2JAK1OPRM1OPRL1HRH3
SCHEMBL19567649 0.86 POLB (0.54) JAK2JAK1KDM1AMAOAMAOB
SCHEMBL19567880 0.86 JAK2 (0.44) JAK2JAK1OPRM1OPRL1HRH3
SCHEMBL19567883 0.86 POLB (0.54) JAK2JAK1KDM1AMAOAMAOB
SCHEMBL19567386 0.86 OPRM1 (0.55) JAK2JAK1OPRM1OPRL1
SCHEMBL19567419 0.86 OPRM1 (0.55) JAK2JAK1OPRM1OPRL1
SCHEMBL19567390 0.85 MAOA (0.47) JAK2JAK1KDM1AMAOAMAOB

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 2 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
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 (1 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 LOXL2 860/4885JAK2 1/4885JAK1 2/4885

“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