SCHEMBL17276423

SCHEMBL17276423

O=C(N1CCN(c2ccccc2N2CCCC2)CC1)n1cc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.46
▸ TRPV1 Q8NER1 2/20 0.44
▸ FAAH O00519 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40

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
SCHEMBL17276598 0.89 AKR1C3 (0.58) AKR1C3TRPV1FAAHLMNA
SCHEMBL17276715 0.89 AKR1C3 (0.52) AKR1C3TRPV1LMNAMEN1KMT2A
SCHEMBL17276463 0.88 AKR1C3 (0.53) AKR1C3FAAHLMNAMEN1KMT2A
SCHEMBL17276264 0.87 AKR1C3 (0.54) AKR1C3FAAHLMNA
SCHEMBL17276465 0.87 MGLL (0.56) TRPV1FAAH
SCHEMBL17276516 0.85 POLB (0.53) AKR1C3LMNAMEN1KMT2A
SCHEMBL17281610 0.85 AKR1C3 (0.42) AKR1C3TRPV1FAAHLMNA
SCHEMBL17276384 0.85 AKR1C3 (0.56) AKR1C3LMNAMEN1KMT2A
SCHEMBL17276600 0.85 FAAH (0.56) AKR1C3TRPV1FAAHLMNAMEN1
SCHEMBL17276551 0.84 HPGD (0.45) LMNAMEN1KMT2A

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 AKR1C3 1992/4885TRPV1 382/4885FAAH 2/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 AKR1C3 1992/4885TRPV1 382/4885FAAH 2/4885

“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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