SCHEMBL17276369

SCHEMBL17276369

O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(Br)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.55
▸ MGLL Q99685 1/20 0.55
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ MC4R P32245 1/20 0.52
▸ MC5R P33032 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL17276848 0.88 FAAH (0.56) FAAHMGLLMC4RMC5RMEN1
SCHEMBL17276610 0.87 FAAH (0.55) FAAHMGLLMC4RMC5RMEN1
SCHEMBL17276419 0.84 FAAH (0.53) FAAHMGLL
SCHEMBL17276417 0.82 FAAH (0.51) FAAHMGLLMEN1KMT2A
SCHEMBL17276626 0.81 FAAH (0.58) FAAHMGLLMC4RMC5RMEN1
SCHEMBL13150708 0.78 FAAH (0.64) FAAHMGLLMC4RMC5RMEN1
SCHEMBL3602106 0.75 KMT2A (0.71) FAAHMGLLMC4RMC5RMEN1
SCHEMBL13150833 0.73 FAAH (0.62) FAAHMC4RMC5RMEN1KMT2A
SCHEMBL27999347 0.73 KMT2A (0.89) FAAHMC4RMC5RMEN1KMT2A
SCHEMBL17276320 0.72 — —

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 7 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
US-20150099765-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating NEUROSOLIS INC (US) 2015-04-09 — — 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 (3 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 7/4885HDAC3 378/4885
US-20150099765-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating CHRM3, ACHE, CHRM4 FAAH 775/4885MGLL 481/4885HDAC3 2538/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 FAAH 2/4885MGLL 7/4885HDAC3 378/4885

“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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