SCHEMBL17276707

SCHEMBL17276707

Cc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)Cl)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.63
▸ GRIN2B Q13224 2/20 0.53
▸ BACE1 P56817 1/20 0.51
▸ MGLL Q99685 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GAA P10253 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL20571132 0.90 FAAH (0.65) FAAHGRIN2BBACE1MGLLALDH1A1
SCHEMBL17276782 0.86 ALDH1A1 (0.53) FAAHBACE1ALDH1A1MEN1KMT2A
SCHEMBL17276555 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL31483857 0.82 FAAH (0.58) FAAHGRIN2BBACE1MGLLALDH1A1
SCHEMBL17276503 0.82 FAAH (0.58) FAAHGRIN2BBACE1MGLLALDH1A1
SCHEMBL21802513 0.81 FAAH (0.56) FAAHGRIN2BMGLLALDH1A1KDM4E
SCHEMBL17276841 0.80 FAAH (0.66) FAAHMGLL
SCHEMBL15264658 0.79 FAAH (0.55) FAAHGRIN2BBACE1MGLLALDH1A1
SCHEMBL17276623 0.79 FAAH (0.68) FAAHMGLL
SCHEMBL17276547 0.79 FAAH (0.71) FAAHGRIN2BMGLLKDM4EGAA

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 6 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
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 3211/4885BACE1 4334/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 FAAH 2/4885GRIN2B 3211/4885BACE1 4334/4885

“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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