SCHEMBL21145808

SCHEMBL21145808

O[C@H](CO[C@H]1CCc2ccccc21)CN1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.56
DRD4 P21917 4/20 0.56
DRD3 P35462 3/20 0.56
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.47
PRMT5 O14744 7/20 0.46
WDR77 Q9BQA1 7/20 0.46
HTR7 P34969 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.44

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
SCHEMBL19852214 1.00 DRD2 (0.56) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071707 1.00 DRD2 (0.56) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071969 1.00 DRD2 (0.56) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071709 1.00 DRD2 (0.56) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071533 0.94 DRD2 (0.49) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071534 0.94 DRD2 (0.49) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071868 0.94 DRD2 (0.49) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071536 0.94 DRD2 (0.49) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071528 0.94 DRD2 (0.49) DRD2DRD4DRD3TSHRMEN1
SCHEMBL21071527 0.94 DRD2 (0.49) DRD2DRD4DRD3TSHRMEN1

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-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C DRD2 69/4885DRD4 237/4885DRD3 290/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C DRD2 69/4885DRD4 237/4885DRD3 290/4885

“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.