SCHEMBL16804997

SCHEMBL16804997

COC(=O)c1cc(-c2cnc(OC)cc2Cl)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ CHRM4 P08173 3/20 0.37
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL16804964 0.86 NNMT (0.46) MMP2MMP13MMP14ATMMEN1
SCHEMBL16804995 0.82 MAPT (0.40) MMP2MMP13MMP14MEN1NPC1
SCHEMBL16783025 0.81 ALDH1A1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4DRD4
SCHEMBL16783060 0.79 MMP2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4DRD4
SCHEMBL16783070 0.77 MMP2 (0.42) MMP2MMP13MMP14MEN1NPC1
SCHEMBL16804973 0.76 POLQ (0.42) MMP2MMP13MMP14ATMSMN1; SMN2
SCHEMBL16782951 0.76 MMP2 (0.43) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL16804999 0.76 MMP2 (0.45) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL16804980 0.75 CRHR1 (0.36) MMP2MMP13MMP14MEN1KMT2A
SCHEMBL16841308 0.75 STIM1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US 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 (1 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 CHRNB2 3123/4885CHRNB4 4109/4885CHRNA3 1514/4885

“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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