SCHEMBL17276252

SCHEMBL17276252

O=C(N1CCN(Cc2ccccc2)CC1)n1cccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ FAAH O00519 1/20 0.53
▸ MGLL Q99685 1/20 0.53
▸ KDM4E B2RXH2 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
SCHEMBL17281583 0.92 FAAH (0.57) ALDH1A1FAAHMGLL
SCHEMBL17276526 0.89 FAAH (0.67) FAAHMGLL
SCHEMBL17276493 0.89 FAAH (0.60) ALDH1A1KMT2ASMN1; SMN2FAAHKDM4E
SCHEMBL19078732 0.85 ALDH1A1 (0.59) ALDH1A1KMT2AFAAHKDM4E
SCHEMBL17276626 0.85 FAAH (0.58) KMT2AFAAHMGLL
SCHEMBL19065770 0.84 FAAH (0.61) ALDH1A1LMNAKMT2ASMN1; SMN2FAAH
SCHEMBL27791391 0.82 ALDH1A1 (0.70) ALDH1A1LMNAKMT2ASMN1; SMN2FAAH
SCHEMBL5644225 0.78 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ASMN1; SMN2FAAH
SCHEMBL20571359 0.78 FAAH (0.71) FAAHMGLL
SCHEMBL17276320 0.78 — —

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 ALDH1A1 1322/4885LMNA 4598/4885KMT2A 2932/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 ALDH1A1 1322/4885LMNA 4598/4885KMT2A 2932/4885

“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.

Send feedback