SCHEMBL21434003

SCHEMBL21434003

Fc1cc(-c2cc(N3CCCCC3)ccn2)ccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ S1PR1 P21453 2/20 0.41
▸ ELOVL1 Q9BW60 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CACNA1H O95180 1/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ SYK P43405 1/20 0.37
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL21434015 0.88 ABL1 (0.42) FAAHGRM2KMOTRPA1TRPV4
SCHEMBL21452938 0.87 MAPK1 (0.39) FAAHHRH4KDM4EALDH1A1HSD17B10
SCHEMBL21453056 0.86 PDE2A (0.38) FAAHHRH4GRM2SYKALOX5AP
SCHEMBL21452940 0.85 ABL1 (0.42) FAAHHRH4
SCHEMBL21453061 0.85 HRH4 (0.39) FAAHHRH4KDM4EGRM2SYK
SCHEMBL21452872 0.85 HRH4 (0.39) FAAHHRH4KDM4EGRM2SYK
SCHEMBL21433991 0.84 SCN9A (0.46) KDM4E
SCHEMBL21452690 0.84 CHEK1 (0.44) KMO
SCHEMBL21452873 0.81 CYP11B2 (0.41) FAAHELOVL1HRH4KDM4EALDH1A1
SCHEMBL21434147 0.81 NPC1 (0.53) FAAHELOVL1HRH4KDM4EALDH1A1

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-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
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 FAAH 3070/4885S1PR1 770/4885ELOVL1 4605/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B FAAH 3070/4885S1PR1 770/4885ELOVL1 4605/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B FAAH 2955/4885S1PR1 754/4885ELOVL1 4654/4885

“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.

Send feedback