SCHEMBL31315001

SCHEMBL31315001

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC[C@@H](Br)C[C@]3(C)[C@H]1CC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
NR1I3 Q14994 1/20 0.56
GRIN1 Q05586 7/20 0.48
GRIN2B Q13224 7/20 0.48
MBOAT4 Q96T53 2/20 0.46
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 4/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
SHBG P04278 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
SCHEMBL5842843 0.83 CDK5 (0.57) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL5842846 0.83 CDK5 (0.57) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL28142697 0.83 CDK5 (0.57) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL28086697 0.82 NR1I3 (0.68) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL21206237 0.82 CDK5 (0.68) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL21206146 0.82 CDK5 (0.68) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL14883710 0.82 CDK5 (0.68) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL16385901 0.82 CDK5 (0.68) CDK5CDK5R1NR1I3GRIN1GRIN2B
Bromomethane SCHEMBL4731128 0.80 CDK5 (0.61) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL24451237 0.80 CDK5 (0.64) CDK5CDK5R1NR1I3GRIN1GRIN2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374617-A1 METHODS OF ACTIVATING MICROGLIAL CELLS UNIV NEW YORK STATE RES FOUND (US) 2024-11-14 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 (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-20240374617-A1 METHODS OF ACTIVATING MICROGLIAL CELLS INPP5B, PPIP5K2, PLA2G4B CDK5 244/4885CDK5R1 310/4885NR1I3 2344/4885

“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.