SCHEMBL22905244

SCHEMBL22905244

Cc1cc(CC(C)(C)N)[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTR2A P28223 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ COMT P21964 1/20 0.31

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
SCHEMBL1911587 0.83 CNR1 (0.36) HPGDTSHR
SCHEMBL1820529 0.82 HCAR2 (0.31) COMT
SCHEMBL348072 0.74 — —
SCHEMBL5600052 0.73 HCAR2 (0.62) —
SCHEMBL9464881 0.72 — —
SCHEMBL7981911 0.70 — —
SCHEMBL22109279 0.70 COMT (0.35) COMT
SCHEMBL3626143 0.70 — —
SCHEMBL27653870 0.70 — —
SCHEMBL12659754 0.70 — —

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-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 — — US disclosed
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 — — 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-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C SLC6A2 2707/4885TAAR1 160/4885HPGD 1576/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C SLC6A2 2707/4885TAAR1 160/4885HPGD 1576/4885

“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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