SCHEMBL123315

SCHEMBL123315

CC#CCOc1cc(N2CC(C)CC(C)C2)nc(F)n1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ADAM17 P78536 1/20 0.30
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL29416724 1.00 TSHR (0.32) TSHRHTTTDP1LMNAGAA
SCHEMBL82974 0.81 ACACB (0.36) ADAM17
SCHEMBL82973 0.81 ACACB (0.36) ADAM17
SCHEMBL82959 0.81 ACACB (0.36) ADAM17
SCHEMBL84342 0.81 ACACB (0.36) ADAM17
SCHEMBL83707 0.72 PDE1B (0.31) LMNA
SCHEMBL83494 0.70 ACACB (0.38) ADAM17
SCHEMBL83874 0.70 ACACB (0.38) TSHRHTTTDP1
SCHEMBL83556 0.69 PDE1B (0.41) LMNA
SCHEMBL394832 0.69 PDE1B (0.41) LMNA

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 299 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3646731-A1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2020-05-06 EP claimed
EP-3300602-B1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2020-03-25 EP claimed
EP-3300602-A1 PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2018-04-04 EP claimed
US-20160219872-A1 Foamable Pesticide Compositions And Methods Of Application BASF CORPORATION 2016-08-04 US claimed
US-9339030-B2 Foamable pesticide compositions and methods of application BASF CORPORATION (US) 2016-05-17 US claimed
EP-2864320-A1 PYRAZOLE COMPOUND AND PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2015-04-29 EP claimed
US-20150105258-A1 Methods For Controlling Pests BASF CORPORATION (US) 2015-04-16 US claimed
US-8980294-B2 Methods for controlling pests BASF CORPORATION (US) 2015-03-17 US claimed
US-8940662-B2 Methods for controlling pests BASF CORPORATION (US) 2015-01-27 US claimed
WO-2014063942-A1 SUBSTITUTED PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2014-05-01 WO claimed
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2011-05-19 US claimed
EP-2306837-A1 PESTCIDAL ACTIVE MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS I BASF SE (DE) 2011-04-13 EP claimed
EP-2273883-A2 PESTICIDAL ACTIVE MIXTURES COMPRISING AMINOTHIAZOLINE COMPOUNDS BASF SE (DE) 2011-01-19 EP claimed
US-20100322892-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF CORPORATION (US) 2010-12-23 US claimed
US-20100323897-A1 FOAMABLE PESTICIDE COMPOSITIONS BASF CORPORATION (US) 2010-12-23 US claimed
US-20100322990-A1 METHODS FOR CONTROLLING PESTS BASF CORPORATION (US) 2010-12-23 US claimed
WO-2010129345-A2 FOAMABLE PESTICIDE COMPOSITIONS BASF CORPORATION (US) 2010-11-11 WO claimed
WO-2010127019-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF CORPORATION (US) 2010-11-04 WO claimed
WO-2010003923-A1 PESTCIDAL ACTIVE MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS I BASF SE (DE) 2010-01-14 WO claimed
WO-2009118297-A2 PESTICIDAL ACTIVE MIXTURES COMPRISING AMINOTHIAZOLINE COMPOUNDS BASF SE (DE) 2009-10-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20100323897-A1 FOAMABLE PESTICIDE COMPOSITIONS DDT, PON1, ACHE TSHR 2433/4885HTT 892/4885TDP1 181/4885
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I CHRM3, CHRM5, CHRM1 TSHR 901/4885HTT 4324/4885TDP1 4816/4885
US-20100322990-A1 METHODS FOR CONTROLLING PESTS DDT, ACHE, PON1 TSHR 2951/4885HTT 915/4885TDP1 427/4885
US-20100322892-A1 PESTICIDE COMPOSITIONS AND APPLICATORS DDT, ACHE, CHRM2 TSHR 2961/4885HTT 400/4885TDP1 573/4885
US-20150105258-A1 Methods For Controlling Pests DDT, ACHE, PON1 TSHR 2951/4885HTT 915/4885TDP1 427/4885
US-20160219872-A1 Foamable Pesticide Compositions And Methods Of Application DDT, PLD1, ACHE TSHR 3607/4885HTT 842/4885TDP1 765/4885

“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.