SCHEMBL17276646

SCHEMBL17276646

O=C(N1CCCC1)n1cc(-c2ccc(-c3ccccc3Cl)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ CNR2 P34972 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38

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
SCHEMBL17276552 0.85 HPGD (0.51) TSHRMEN1KMT2A
SCHEMBL17276294 0.84 LMNA (0.47) NPC1RAB9APOLBAKR1C3
SCHEMBL19078697 0.84 CCNC (0.39) TSHRRECQLCCNCCDK8
SCHEMBL17276373 0.84 HPGD (0.49) TSHRRECQLMEN1KMT2A
SCHEMBL17276563 0.83 HPGD (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL17276798 0.82 DAGLA (0.46) NPC1RAB9ASCN9APOLBEGLN1
SCHEMBL17276317 0.79 NPC1 (0.44) NPC1RAB9ATSHRCCNCCDK8
SCHEMBL17276663 0.78 PLA2G7 (0.46) NPC1RAB9APOLBTSHRMEN1
SCHEMBL17276375 0.75 GAK (0.43) POLBTSHRKMT2A
SCHEMBL17276438 0.72 ELANE (0.45) POLBAKR1C3

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 NPC1 3019/4885RAB9A 1540/4885KLF5 3911/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 NPC1 3019/4885RAB9A 1540/4885KLF5 3911/4885

“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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