SCHEMBL17276761

SCHEMBL17276761

COc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(Cl)cn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ TACR2 P21452 1/20 0.49
▸ TACR1 P25103 1/20 0.49
▸ TACR3 P29371 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL19078765 0.90 FAAH (0.53) FAAHALDH1A1HTTKDM4EGAA
SCHEMBL17281594 0.88 FAAH (0.47) FAAH
SCHEMBL17276750 0.88 FAAH (0.49) FAAHALDH1A1HTTKDM4EGAA
SCHEMBL17276406 0.88 FAAH (0.47) FAAH
SCHEMBL17276841 0.87 FAAH (0.66) FAAH
SCHEMBL17276713 0.87 ALDH1A1 (0.55) FAAHALDH1A1HTTKDM4EGAA
SCHEMBL17276726 0.87 FAAH (0.48) FAAHALDH1A1HTTKDM4EGAA
SCHEMBL17276868 0.87 FAAH (0.52) FAAH
SCHEMBL20556795 0.85 FAAH (0.46) FAAHALDH1A1HTTKDM4EGAA
SCHEMBL17276555 0.81 ALDH1A1 (0.58) ALDH1A1HTTTACR2TACR1TACR3

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 2/4885ALDH1A1 1322/4885HTT 3834/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 FAAH 2/4885ALDH1A1 1322/4885HTT 3834/4885

“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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