SCHEMBL17276552

SCHEMBL17276552

O=C(N1CCCC1)n1cc(-c2ccc(-c3ccccc3)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NAAA Q02083 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ USP2 O75604 1/20 0.43
▸ LYPLA2 O95372 1/20 0.43

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
SCHEMBL17276373 0.98 HPGD (0.49) HPGDMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL17276563 0.97 HPGD (0.47) HPGDMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL17276294 0.87 LMNA (0.47) HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL17276317 0.87 NPC1 (0.44) HPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL17276646 0.85 NPC1 (0.43) MEN1KMT2ATSHR
SCHEMBL19078697 0.84 CCNC (0.39) LMNATSHRALDH1A1
SCHEMBL17276798 0.82 DAGLA (0.46) HPGDMAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17276375 0.82 GAK (0.43) HPGDMAPK1KMT2ASMN1; SMN2TSHR
SCHEMBL17276663 0.80 PLA2G7 (0.46) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL17276452 0.77 KDM4E (0.54) TSHR

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 HPGD 297/4885MAPK1 4023/4885MEN1 3710/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 HPGD 297/4885MAPK1 4023/4885MEN1 3710/4885

“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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