SCHEMBL19852033

SCHEMBL19852033

CCC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.80
MAPT P10636 6/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
HTR7 P34969 2/20 0.80
LMNA P02545 3/20 0.75
KMT2A Q03164 3/20 0.75
MEN1 O00255 2/20 0.75
NPSR1 Q6W5P4 1/20 0.75
HSD17B10 Q99714 1/20 0.74
ALDH1A1 P00352 2/20 0.70
POLB P06746 1/20 0.70
CYP2D6 P10635 1/20 0.70
MAPK1 P28482 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
ALOX15 P16050 1/20 0.68

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
SCHEMBL8613867 0.84 MAPT (0.82) MAPTHTR7LMNAKMT2AMEN1
SCHEMBL2743800 0.84 ABCB1 (0.78) ABCB1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL12577217 0.83 MAPT (1.00) MAPTHTR7LMNAKMT2AMEN1
SCHEMBL12575381 0.83 MAPT (1.00) MAPTHTR7LMNAKMT2AMEN1
SCHEMBL9815965 0.82 HTR7 (0.76) ABCB1MAPTHTR7LMNAKMT2A
SCHEMBL25097473 0.82 MAPT (0.79) ABCB1MAPTSMN1; SMN2HTR7LMNA
SCHEMBL8002897 0.82 MAPT (0.79) ABCB1MAPTSMN1; SMN2HTR7LMNA
SCHEMBL8009539 0.82 MAPT (0.79) ABCB1MAPTSMN1; SMN2HTR7LMNA
SCHEMBL12577234 0.81 MAPT (0.81) ABCB1MAPTSMN1; SMN2HTR7LMNA
SCHEMBL25192668 0.81 HTR7 (0.70) ABCB1MAPTSMN1; SMN2HTR7LMNA

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 ABCB1 264/4885MAPT 434/4885SMN1; SMN2 341/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ABCB1 264/4885MAPT 434/4885SMN1; SMN2 341/4885

“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.