SCHEMBL17276463

SCHEMBL17276463

Cc1ccccc1N1CCN(C(=O)n2cc(C(F)(F)F)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.53
▸ LMNA P02545 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ FAAH O00519 1/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ AVPR1A P37288 5/20 0.47
▸ AR P10275 4/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL17276423 0.88 AKR1C3 (0.46) AKR1C3LMNAFAAHMEN1KMT2A
SCHEMBL17276715 0.87 AKR1C3 (0.52) AKR1C3LMNAGAAMAPTHTT
SCHEMBL17276384 0.85 AKR1C3 (0.56) AKR1C3LMNAGAAHTTSMN1; SMN2
SCHEMBL19078781 0.85 AKR1C3 (0.58) AKR1C3FAAHMGLLTSHRAVPR1A
SCHEMBL17276598 0.85 AKR1C3 (0.58) AKR1C3LMNAGAAMAPTFAAH
SCHEMBL17281610 0.83 AKR1C3 (0.42) AKR1C3LMNAGAAMAPTXBP1
SCHEMBL17276600 0.83 FAAH (0.56) AKR1C3LMNAGAAMAPTHTT
SCHEMBL17276684 0.81 NCF1 (0.61) LMNAMAPTHTTSMN1; SMN2TSHR
SCHEMBL17276443 0.81 AKR1C3 (0.52) AKR1C3LMNAMAPTSMN1; SMN2MEN1
SCHEMBL17276570 0.81 ALDH1A1 (0.55) GAAL3MBTL1MEN1KMT2A

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 1992/4885LMNA 4598/4885GAA 2974/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 AKR1C3 1992/4885LMNA 4598/4885GAA 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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