SCHEMBL19852530

SCHEMBL19852530

COc1ccccc1OC1CCN(C(=O)C2CCc3ccccc32)CC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.52
CRBN Q96SW2 8/20 0.49
DDB1 Q16531 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39

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
SCHEMBL19838633 0.89 CRBN (0.44) PIN1CRBNDDB1PTGDR2KMT2A
SCHEMBL19838794 0.87 CRBN (0.42) PIN1CRBNDDB1PTGDR2KMT2A
SCHEMBL19852301 0.74 HTR7 (0.41) PIN1KMT2AMEN1
SCHEMBL22932138 0.66 CRBN (1.00) CRBNDDB1
SCHEMBL30242878 0.66 CRBN (1.00) CRBNDDB1
SCHEMBL19838610 0.66 NAMPT (0.45) PIN1CRBNKMT2AMEN1
SCHEMBL1153666 0.65 PIN1 (0.60) PIN1KMT2AMEN1PDE4APDE4B
SCHEMBL14143104 0.65 PIN1 (0.60) PIN1KMT2AMEN1PDE4APDE4B
SCHEMBL29609016 0.65 PIN1 (0.60) PIN1KMT2AMEN1PDE4APDE4B
SCHEMBL31329286 0.65 CRBN (0.64) CRBNDDB1

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 5 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-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
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO 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 PIN1 3338/4885CRBN 4088/4885DDB1 3814/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PIN1 3338/4885CRBN 4088/4885DDB1 3814/4885

“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.