SCHEMBL21145876

SCHEMBL21145876

CC(=O)c1cccc(C2CCNC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
HTR2C P28335 2/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRND Q07001 1/20 0.39
JAK3 P52333 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
SCHEMBL9635880 0.81 CYP3A4 (0.48) PARP1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12799168 0.77 CHRNA7 (0.36) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL6602202 0.77 TSHR (0.45) PARP1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6601746 0.77 SLC6A2 (0.42) PARP1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7670262 0.76 HTR2C (0.56) HTR2CCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL16136704 0.76 HTR2C (0.49) PARP1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL4213803 0.75 JAK3 (0.49) PARP1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL30776200 0.75 JAK3 (0.49) PARP1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL1663055 0.75 JAK3 (0.49) PARP1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL2781842 0.75 HTR2C (0.47) PARP1HTR2CSLC6A2SLC6A4SLC6A3

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 PARP1 2606/4885HTR2C 3/4885CYP2D6 571/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PARP1 2606/4885HTR2C 3/4885CYP2D6 571/4885

“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.