SCHEMBL18610909

SCHEMBL18610909

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A3 Q01959 2/20 0.62
SCD O00767 3/20 0.42
HTR1A P08908 1/20 0.41
EPHX2 P34913 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
FFAR1 O14842 1/20 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
SCHEMBL18610914 1.00 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3SCDHTR1A
SCHEMBL20329796 0.81 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3SCDHTR1A
SCHEMBL19527586 0.81 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3SCDHTR1A
SCHEMBL22355169 0.80 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3SCDGRIN1
SCHEMBL20351812 0.80 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3SCDGRIN1
SCHEMBL20329798 0.80 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL9281104 0.79 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3SCDEPHX2
SCHEMBL23842635 0.78 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR1A
Hydrochloric Acid SCHEMBL69882 0.77 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL18610899 0.77 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3HTR1AGRIN1

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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 SLC6A4 3842/4885SLC6A2 2764/4885SLC6A3 3030/4885

“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.