SCHEMBL22355169

SCHEMBL22355169

CC[C@H]1C[C@H](Oc2ccccc2Cl)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.57
SLC6A2 P23975 9/20 0.57
SLC6A3 Q01959 3/20 0.57
FFAR1 O14842 1/20 0.42
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
SCD O00767 3/20 0.39
CYP2D6 P10635 5/20 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
SCHEMBL20351812 1.00 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3FFAR1GRIN1
SCHEMBL18610914 0.80 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3FFAR1GRIN1
SCHEMBL18610909 0.80 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3FFAR1GRIN1
SCHEMBL20351811 0.79 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3FFAR1GRIN1
SCHEMBL20333529 0.79 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3FFAR1GRIN1
SCHEMBL19527586 0.77 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3FFAR1GRIN1
SCHEMBL20329796 0.77 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL20329798 0.76 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3FFAR1GRIN1
SCHEMBL19308484 0.76 SCD (0.42) SLC6A4SLC6A2SLC6A3SCDCYP2D6
SCHEMBL20064287 0.76 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3FFAR1GRIN1

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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH SLC6A4 4471/4885SLC6A2 4407/4885SLC6A3 4570/4885

“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.