SCHEMBL20782001

SCHEMBL20782001

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ CARM1 Q86X55 4/20 0.38
▸ PRMT6 Q96LA8 4/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ JAK2 O60674 6/20 0.37
▸ JAK1 P23458 6/20 0.37
▸ POLB P06746 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CCR2 P41597 1/20 0.34

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
SCHEMBL19566968 0.87 CARM1 (0.37) ALDH1A1CARM1PRMT6OPRM1OPRL1
SCHEMBL20781954 0.86 CCR2 (0.38) ALDH1A1CARM1PRMT6OPRM1OPRL1
SCHEMBL19567519 0.85 CARM1 (0.50) ALDH1A1CARM1PRMT6OPRM1OPRL1
SCHEMBL23514508 0.85 CARM1 (0.50) ALDH1A1CARM1PRMT6OPRM1OPRL1
SCHEMBL19567412 0.85 CARM1 (0.50) ALDH1A1CARM1PRMT6OPRM1OPRL1
SCHEMBL19567390 0.82 MAOA (0.47) ALDH1A1OPRM1OPRL1JAK2JAK1
SCHEMBL19567374 0.82 MAOA (0.47) ALDH1A1OPRM1OPRL1JAK2JAK1
SCHEMBL19567419 0.81 OPRM1 (0.55) CARM1PRMT6OPRM1OPRL1JAK2
SCHEMBL19567386 0.81 OPRM1 (0.55) CARM1PRMT6OPRM1OPRL1JAK2
SCHEMBL20781953 0.81 JAK1 (0.37) OPRM1OPRL1JAK2JAK1ACHE

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-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

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-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885CARM1 828/4885PRMT6 785/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 ALDH1A1 1808/4885CARM1 828/4885PRMT6 785/4885

“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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