SCHEMBL21452669

SCHEMBL21452669

CC(=O)N1CC2(CN(Cc3ccnc(-c4ccc(OC(F)(F)F)c(F)c4)c3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RORC P51449 2/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ CACNA1H O95180 5/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ CD274 Q9NZQ7 3/20 0.37
▸ PDCD1 Q15116 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.35

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
SCHEMBL21452668 0.89 HRH3 (0.46) RORCNTRK1KDR
SCHEMBL21434074 0.84 CYP2C9 (0.38) USP2HPGDNTRK1CACNA1HTRPA1
SCHEMBL21434014 0.78 EGFR (0.40) NTRK1TRPA1TRPV4FAAHKMO
SCHEMBL21434143 0.78 FAAH (0.42) USP2HPGDNTRK1CACNA1HTRPA1
SCHEMBL21434137 0.76 KMO (0.39) NTRK1CACNA1HTRPA1TRPV4FAAH
SCHEMBL21452690 0.76 CHEK1 (0.44) RORCNTRK1KMO
SCHEMBL21434174 0.75 EGLN2 (0.43) RORCCACNA1HTRPA1TRPV4KMO
SCHEMBL21434112 0.73 TRPA1 (0.40) NTRK1TRPA1TRPV4FAAHEGFR
SCHEMBL21434024 0.72 GRIN2B (0.40) USP2HPGDCYP3A4CYP2D6CYP1A2
SCHEMBL21434127 0.69 FAAH (0.46) TRPA1TRPV4FAAHKMO

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-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 (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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B USP2 4081/4885HPGD 1746/4885RORC 179/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B USP2 4140/4885HPGD 1491/4885RORC 218/4885

“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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