SCHEMBL19003676

SCHEMBL19003676

CCCC(CC)c1cnc(C)s1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL10205366 0.88 HCAR2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25152124 0.80 HCAR2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23489973 0.79 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26524370 0.79 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22758634 0.79 NR1I2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18948474 0.79 NR1I2 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15158969 0.76 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26897150 0.76 HCAR2 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25152079 0.76 HCAR2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12049686 0.75 HCAR2 (0.35) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-10-12 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP 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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 PSEN1 278/4885PSEN2 530/4885APH1B 1795/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PSEN1 2972/4885PSEN2 4255/4885APH1B 2805/4885

“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.