SCHEMBL19078808

SCHEMBL19078808

Cc1cnn(C(=O)N2CCN(Cc3ccc(C(=O)N4CCC4)cc3F)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.49
▸ ADRB2 P07550 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL19078809 0.97 GRIN2B (0.46) GRIN2BADRB2ALDH1A1GAAKDM4E
SCHEMBL19078807 0.88 GRIN2B (0.49) GRIN2BALDH1A1
SCHEMBL17276638 0.86 ALDH1A1 (0.45) GRIN2BADRB2ALDH1A1KDM4EMEN1
SCHEMBL19078806 0.85 GRIN2B (0.46) GRIN2BALDH1A1
SCHEMBL17276424 0.83 ALDH1A1 (0.44) ADRB2ALDH1A1KDM4EMEN1LMNA
SCHEMBL19078802 0.81 KDM4E (0.58) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL17276521 0.78 ALDH1A1 (0.56) GRIN2BADRB2ALDH1A1GAAKDM4E
SCHEMBL17276361 0.76 USP2 (0.57) GRIN2BALDH1A1
SCHEMBL19078738 0.76 L3MBTL1 (0.54) —
SCHEMBL19078760 0.76 FAAH (0.49) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 GRIN2B 3211/4885ADRB2 3125/4885ALDH1A1 1322/4885

“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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