SCHEMBL17276405

SCHEMBL17276405

Cc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(C(=O)N3CCOCC3)cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.59
▸ GRIN2B Q13224 1/20 0.48
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ FABP6 P51161 1/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TSHR P16473 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
SCHEMBL17276682 0.92 FAAH (0.62) FAAHGRIN2BFABP6MGLLALDH1A1
SCHEMBL17276268 0.92 FAAH (0.62) FAAHGRIN2BFABP6MGLLALDH1A1
SCHEMBL17276637 0.91 FAAH (0.61) FAAHGRIN2BFABP6MGLLALDH1A1
SCHEMBL17276623 0.86 FAAH (0.68) FAAHMGLL
SCHEMBL19078752 0.85 FAAH (0.67) FAAHMGLL
SCHEMBL17276841 0.84 FAAH (0.66) FAAHMGLL
SCHEMBL17276834 0.81 FAAH (0.63) FAAHMGLL
SCHEMBL17276757 0.81 ALDH1A1 (0.50) FAAHGRIN2BALDH1A1HTTTSHR
SCHEMBL17276770 0.81 FAAH (0.62) FAAHMGLL
SCHEMBL17276713 0.80 ALDH1A1 (0.55) FAAHALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
US-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-07-06 — — US disclosed
WO-2015179559-A2 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-11-26 — — WO 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-20170190669-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, FAAH, FAAH2 FAAH 2/4885GRIN2B 3211/4885JAK2 3095/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 FAAH 2/4885GRIN2B 3211/4885JAK2 3095/4885

“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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