SCHEMBL20008958

SCHEMBL20008958

CC(C)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.51
FUCA1 P04066 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL5242542 0.85 FUCA1 (0.64) GRIN2BFUCA1HRH3SIGMAR1DRD2
SCHEMBL9269370 0.83 KMT2A (0.48) FUCA1KDM4EMEN1KMT2AHRH3
SCHEMBL9265205 0.82 TACR1 (0.47) FUCA1KDM4EMEN1KMT2AHRH3
SCHEMBL13326662 0.81 GRIN2B (0.47) GRIN2BFUCA1KDM4EMEN1KMT2A
SCHEMBL1796837 0.80 MC4R (0.58) GRIN2BFUCA1HRH3SIGMAR1DRD2
SCHEMBL21064724 0.80 FUCA1 (0.55) GRIN2BFUCA1HRH3SIGMAR1DRD2
SCHEMBL16837173 0.80 FUCA1 (0.58) GRIN2BFUCA1SIGMAR1DRD2DRD3
SCHEMBL13326688 0.78 GRIN2B (0.50) GRIN2B
SCHEMBL12372536 0.77 FUCA1 (0.60) GRIN2BFUCA1SIGMAR1DRD2DRD3
SCHEMBL13783796 0.77 FUCA1 (0.60) GRIN2BFUCA1SIGMAR1DRD2DRD3

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-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 GRIN2B 1577/4885FUCA1 3575/4885KDM4E 1623/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 GRIN2B 1577/4885FUCA1 3575/4885KDM4E 1623/4885

“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.