SCHEMBL17276570

SCHEMBL17276570

Cc1ccccc1CN1CCN(C(=O)n2cc(C(F)(F)F)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ ATM Q13315 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ FABP6 P51161 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL17276311 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EGAAATMNPSR1
SCHEMBL17276604 0.88 KDM4E (0.52) ALDH1A1KDM4EATMMEN1KMT2A
SCHEMBL17276834 0.87 FAAH (0.63) —
SCHEMBL17276376 0.87 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL19078799 0.86 FABP6 (0.55) ALDH1A1KDM4EFABP6MEN1KMT2A
SCHEMBL17276615 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21257973 0.86 KDM4E (0.44) ALDH1A1KDM4EGAAATMNPSR1
SCHEMBL21276239 0.84 FAAH (0.47) ALDH1A1
SCHEMBL17276465 0.84 MGLL (0.56) —
SCHEMBL17276583 0.84 SIGMAR1 (0.59) ALDH1A1KMT2A

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 1322/4885KDM4E 2168/4885GAA 2974/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 ALDH1A1 1322/4885KDM4E 2168/4885GAA 2974/4885

“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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