SCHEMBL17276372

SCHEMBL17276372

COc1ccc(N2CCN(C(=O)n3cc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.55
▸ HTT P42858 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.54
▸ LMNA P02545 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ FAAH O00519 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ CCR1 P32246 1/20 0.48
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CCNC P24863 1/20 0.46

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
SCHEMBL17276749 0.88 LMNA (0.53) HTTMAPTNPSR1LMNAALDH1A1
SCHEMBL17276443 0.87 AKR1C3 (0.52) AKR1C3MAPTNPSR1LMNASMN1; SMN2
SCHEMBL17276264 0.87 AKR1C3 (0.54) AKR1C3HTTMAPTLMNAALDH1A1
SCHEMBL17276285 0.84 CYP3A4 (0.54) AKR1C3HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL17276705 0.84 AKR1C3 (0.66) AKR1C3MAPTGAA
SCHEMBL17276600 0.84 FAAH (0.56) AKR1C3HTTMAPTNPSR1LMNA
SCHEMBL19078723 0.82 AKR1C3 (0.50) AKR1C3HTTMAPTNPSR1LMNA
SCHEMBL17276384 0.80 AKR1C3 (0.56) AKR1C3HTTNPSR1LMNAL3MBTL1
SCHEMBL17276867 0.78 NPSR1 (0.50) HTTMAPTNPSR1LMNAL3MBTL1
SCHEMBL27976453 0.78 AKR1C3 (0.85) AKR1C3HTTMAPTNPSR1LMNA

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 5 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
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 1992/4885HTT 3834/4885MAPT 4504/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 AKR1C3 1992/4885HTT 3834/4885MAPT 4504/4885

“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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