SCHEMBL21434147

SCHEMBL21434147

Fc1cc(-c2cc(N3CCCCC3)ncn2)ccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ FAAH O00519 1/20 0.48
▸ DPP4 P27487 1/20 0.43
▸ KMO O15229 1/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ ELOVL1 Q9BW60 3/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ ALOX5AP P20292 2/20 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
SCHEMBL21434102 0.87 DPP4 (0.48) FAAHDPP4KMOTRPA1RPS6KB1
SCHEMBL21434180 0.87 NPC1 (0.52) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL21434145 0.87 KMO (0.57) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL21434116 0.87 NPC1 (0.52) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL21434142 0.86 TSHR (0.51) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL21452770 0.86 FAAH (0.43) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL21453053 0.86 FAAH (0.43) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL21452702 0.84 ITGB2 (0.52) FAAHKMOHRH4TRPA1ITGB2
SCHEMBL21434093 0.84 DPP4 (0.53) FAAHDPP4TRPA1
SCHEMBL21434172 0.83 NPC1 (0.62) NPC1TSHRRECQLRAB9ASMN1; SMN2

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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — 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 (3 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B NPC1 3441/4885TSHR 1099/4885RECQL 2899/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B NPC1 3441/4885TSHR 1099/4885RECQL 2899/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B NPC1 3519/4885TSHR 1134/4885RECQL 2860/4885

“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.

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