SCHEMBL18948474

SCHEMBL18948474

CCCCCCC(CCCCCC)c1cnc(C)s1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL22758634 1.00 NR1I2 (0.33) NR1I2PSEN1PSEN2APH1BNCSTN
SCHEMBL24608829 0.85 GPR84 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23219755 0.85 GPR84 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21239934 0.83 GPR84 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19003676 0.79 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13535383 0.78 ALDH1A1 (0.38) LMNA
SCHEMBL24599481 0.75 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8370472 0.74 NR1I2 (0.41) NR1I2LMNASLC2A1
SCHEMBL25018102 0.73 LMNA (0.36) LMNA
SCHEMBL23489973 0.73 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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-20220144802-A1 NONPEPTIDE SOMATOSTATIN TYPE 5 RECEPTOR AGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2022-05-12 US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 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 (1 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-20220144802-A1 NONPEPTIDE SOMATOSTATIN TYPE 5 RECEPTOR AGONISTS AND USES THEREOF SSTR5, SSTR4, SSTR3 NR1I2 1827/4885PSEN1 2821/4885PSEN2 3056/4885

“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.