SCHEMBL23514679

SCHEMBL23514679

CC(C)[C@]1(CC#N)CC[C@@H](NCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.51
▸ OPRL1 P41146 2/20 0.51
▸ GRIN2B Q13224 2/20 0.46
▸ ACHE P22303 2/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.41
▸ CCR2 P41597 1/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL19567523 1.00 OPRM1 (0.51) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL24093352 1.00 OPRM1 (0.51) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL23514499 0.93 MEN1 (0.55) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL19568084 0.93 MEN1 (0.55) OPRM1OPRL1GRIN2BACHEBACE1
SCHEMBL23514752 0.87 POLB (0.50) OPRM1OPRL1ACHEBACE1BCHE
SCHEMBL20781847 0.87 JAK2 (0.42) OPRM1OPRL1ACHEBACE1BCHE
SCHEMBL23514509 0.87 JAK2 (0.42) OPRM1OPRL1JAK2JAK1
SCHEMBL19568085 0.87 JAK2 (0.42) OPRM1OPRL1JAK2JAK1
SCHEMBL19568076 0.86 MAOA (0.45) OPRM1OPRL1JAK2JAK1
SCHEMBL19567881 0.86 MAOA (0.45) OPRM1OPRL1JAK2JAK1

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 3 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

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 OPRM1 2365/4885OPRL1 2515/4885GRIN2B 1057/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 OPRM1 2365/4885OPRL1 2515/4885GRIN2B 1057/4885

“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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