SCHEMBL17276541

SCHEMBL17276541

O=C(Cl)N1CCN(Cc2c(N3CCCC3)cccc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.46
▸ ABHD6 Q9BV23 7/20 0.46
▸ PLA2G7 Q13093 4/20 0.46
▸ P2RX7 Q99572 3/20 0.45
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ TPH1 P17752 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL17276631 0.89 MGLL (0.47) MGLLABHD6PLA2G7P2RX7KDM4E
SCHEMBL17276635 0.84 MGLL (0.50) MGLLABHD6PLA2G7P2RX7KDM4E
SCHEMBL17276460 0.81 FAAH (0.43) MGLLABHD6
SCHEMBL17276888 0.80 FAAH (0.47) AKR1C3
SCHEMBL5337966 0.80 MGLL (0.45) MGLLABHD6PLA2G7P2RX7KDM4E
SCHEMBL17276723 0.79 FAAH (0.42) —
SCHEMBL17276494 0.79 NCF1 (0.45) KDM4EALDH1A1TSHRPOLB
SCHEMBL17276625 0.78 — —
SCHEMBL17276543 0.77 FAAH (0.42) AKR1C3
SCHEMBL17276829 0.76 FAAH (0.40) AKR1C3

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 MGLL 7/4885ABHD6 1/4885PLA2G7 55/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 MGLL 7/4885ABHD6 1/4885PLA2G7 55/4885

“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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