SCHEMBL17281583

SCHEMBL17281583

O=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1cccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.57
▸ MGLL Q99685 2/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL17276252 0.92 ALDH1A1 (0.54) FAAHMGLLALDH1A1
SCHEMBL17276526 0.87 FAAH (0.67) FAAHMGLL
SCHEMBL17276493 0.84 FAAH (0.60) FAAHHRH3ALDH1A1
SCHEMBL17276547 0.83 FAAH (0.71) FAAHMGLL
SCHEMBL17276626 0.83 FAAH (0.58) FAAHMGLL
SCHEMBL24970134 0.81 FAAH (0.72) FAAHMGLL
SCHEMBL17276736 0.80 FAAH (0.54) FAAHMGLL
SCHEMBL19078732 0.78 ALDH1A1 (0.59) FAAHALDH1A1
SCHEMBL2235689 0.78 FAAH (0.69) FAAHMGLLHRH3ALDH1A1TSHR
SCHEMBL19065770 0.78 FAAH (0.61) FAAHMGLLALDH1A1TSHR

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 2/4885MGLL 7/4885HRH3 360/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 FAAH 2/4885MGLL 7/4885HRH3 360/4885

“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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