SCHEMBL20204020

SCHEMBL20204020

O=C1CCC(c2ccc(OCC(F)(F)F)cn2)=NN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PDE3B Q13370 6/20 0.36
PDE3A Q14432 6/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
PDE2A O00408 1/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL20204018 0.70 LMNA (0.43) LMNAKMT2AHRH3PDE3BPDE3A
SCHEMBL10548480 0.67 PDE3B (0.47) MAPTLMNANPY1RNPY2RSMN1; SMN2
SCHEMBL17099993 0.66 ALDH1A1 (0.41) MAPTKCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL29700311 0.66 ALDH1A1 (0.41) MAPTKCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL11568322 0.65 SMN1; SMN2 (0.59) MAPTLMNANPY1RNPY2RSMN1; SMN2
SCHEMBL10965357 0.64 SMN1; SMN2 (0.62) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL20204016 0.64 CACNA1G (0.39) MAPTKCNH2CACNA1GCACNA1HCACNA1I
SCHEMBL10968693 0.64 MAPT (0.79) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL506395 0.64 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1RAB9AKCNH2
SCHEMBL31628102 0.63 DGAT1 (0.41) MAPTRAB9AKCNH2CACNA1GCACNA1H

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098499-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B MAPT 670/4885LMNA 688/4885NPY1R 3378/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B MAPT 670/4885LMNA 688/4885NPY1R 3378/4885

“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.